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- structures/1a9l.cif +0 -0
- structures/1atv.cif +0 -0
- structures/1dk1.cif +0 -0
- structures/1jgo.cif +0 -0
- structures/1jid.cif +0 -0
- structures/1mnb.cif +0 -0
- structures/1mzp.cif +0 -0
- structures/1ob5.cif +0 -0
- structures/1s2f.cif +0 -0
- structures/1sdr.cif +0 -0
- structures/1ser.cif +0 -0
- structures/1tn2.cif +0 -0
- structures/1zbh.cif +0 -0
- structures/1zbl.cif +0 -0
- structures/283d.cif +1470 -0
- structures/2f4s.cif +0 -0
- structures/2f8t.cif +0 -0
- structures/2hok.cif +0 -0
- structures/2hoo.cif +0 -0
- structures/2jtp.cif +0 -0
- structures/2jxs.cif +0 -0
- structures/2m39.cif +0 -0
- structures/2mfd.cif +0 -0
- structures/2oe8.cif +0 -0
- structures/2oj3.cif +0 -0
- structures/3gtq.cif +0 -0
- structures/3gx3.cif +0 -0
- structures/3gx7.cif +0 -0
- structures/3iy8.cif +0 -0
- structures/3iz4.cif +0 -0
- structures/3k4e.cif +0 -0
- structures/3l3c.cif +0 -0
- structures/3ptx.cif +0 -0
- structures/3r9w.cif +0 -0
- structures/3ud4.cif +0 -0
- structures/4b3r.cif +0 -0
- structures/4en5.cif +0 -0
- structures/4enc.cif +0 -0
- structures/4ngc.cif +0 -0
- structures/4r8i.cif +0 -0
- structures/4rbz.cif +0 -0
- structures/4y1i.cif +0 -0
- structures/5d8h.cif +0 -0
- structures/5f8j.cif +0 -0
- structures/5f8n.cif +0 -0
- structures/5f98.cif +0 -0
- structures/5h9e.cif +0 -0
- structures/5ho4.cif +0 -0
- structures/5m3f.cif +0 -0
- structures/5swd.cif +0 -0
structures/1a9l.cif
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structures/1atv.cif
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structures/1dk1.cif
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structures/1jgo.cif
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structures/1jid.cif
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structures/1mnb.cif
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structures/1mzp.cif
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structures/1ob5.cif
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structures/1s2f.cif
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structures/1sdr.cif
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structures/1ser.cif
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structures/1tn2.cif
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structures/1zbh.cif
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structures/1zbl.cif
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structures/283d.cif
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|
| 1 |
+
data_283D
|
| 2 |
+
#
|
| 3 |
+
_entry.id 283D
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.389
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 283D pdb_0000283d 10.2210/pdb283d/pdb
|
| 15 |
+
RCSB URL051 ? ?
|
| 16 |
+
WWPDB D_1000177695 ? ?
|
| 17 |
+
#
|
| 18 |
+
loop_
|
| 19 |
+
_pdbx_audit_revision_history.ordinal
|
| 20 |
+
_pdbx_audit_revision_history.data_content_type
|
| 21 |
+
_pdbx_audit_revision_history.major_revision
|
| 22 |
+
_pdbx_audit_revision_history.minor_revision
|
| 23 |
+
_pdbx_audit_revision_history.revision_date
|
| 24 |
+
1 'Structure model' 1 0 1996-09-30
|
| 25 |
+
2 'Structure model' 1 1 2008-05-22
|
| 26 |
+
3 'Structure model' 1 2 2011-07-13
|
| 27 |
+
4 'Structure model' 1 3 2024-02-14
|
| 28 |
+
5 'Structure model' 1 4 2024-04-03
|
| 29 |
+
#
|
| 30 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 32 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 33 |
+
_pdbx_audit_revision_details.provider repository
|
| 34 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 35 |
+
_pdbx_audit_revision_details.description ?
|
| 36 |
+
_pdbx_audit_revision_details.details ?
|
| 37 |
+
#
|
| 38 |
+
loop_
|
| 39 |
+
_pdbx_audit_revision_group.ordinal
|
| 40 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 41 |
+
_pdbx_audit_revision_group.data_content_type
|
| 42 |
+
_pdbx_audit_revision_group.group
|
| 43 |
+
1 2 'Structure model' 'Version format compliance'
|
| 44 |
+
2 3 'Structure model' 'Version format compliance'
|
| 45 |
+
3 4 'Structure model' 'Data collection'
|
| 46 |
+
4 4 'Structure model' 'Database references'
|
| 47 |
+
5 4 'Structure model' 'Derived calculations'
|
| 48 |
+
6 5 'Structure model' 'Refinement description'
|
| 49 |
+
#
|
| 50 |
+
loop_
|
| 51 |
+
_pdbx_audit_revision_category.ordinal
|
| 52 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 53 |
+
_pdbx_audit_revision_category.data_content_type
|
| 54 |
+
_pdbx_audit_revision_category.category
|
| 55 |
+
1 4 'Structure model' chem_comp_atom
|
| 56 |
+
2 4 'Structure model' chem_comp_bond
|
| 57 |
+
3 4 'Structure model' database_2
|
| 58 |
+
4 4 'Structure model' struct_conn
|
| 59 |
+
5 4 'Structure model' struct_site
|
| 60 |
+
6 5 'Structure model' pdbx_initial_refinement_model
|
| 61 |
+
#
|
| 62 |
+
loop_
|
| 63 |
+
_pdbx_audit_revision_item.ordinal
|
| 64 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 65 |
+
_pdbx_audit_revision_item.data_content_type
|
| 66 |
+
_pdbx_audit_revision_item.item
|
| 67 |
+
1 4 'Structure model' '_database_2.pdbx_DOI'
|
| 68 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 69 |
+
3 4 'Structure model' '_struct_conn.ptnr1_auth_comp_id'
|
| 70 |
+
4 4 'Structure model' '_struct_conn.ptnr1_auth_seq_id'
|
| 71 |
+
5 4 'Structure model' '_struct_conn.ptnr1_label_asym_id'
|
| 72 |
+
6 4 'Structure model' '_struct_conn.ptnr1_label_atom_id'
|
| 73 |
+
7 4 'Structure model' '_struct_conn.ptnr1_label_comp_id'
|
| 74 |
+
8 4 'Structure model' '_struct_conn.ptnr1_label_seq_id'
|
| 75 |
+
9 4 'Structure model' '_struct_conn.ptnr2_auth_comp_id'
|
| 76 |
+
10 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id'
|
| 77 |
+
11 4 'Structure model' '_struct_conn.ptnr2_label_asym_id'
|
| 78 |
+
12 4 'Structure model' '_struct_conn.ptnr2_label_atom_id'
|
| 79 |
+
13 4 'Structure model' '_struct_conn.ptnr2_label_comp_id'
|
| 80 |
+
14 4 'Structure model' '_struct_conn.ptnr2_label_seq_id'
|
| 81 |
+
15 4 'Structure model' '_struct_site.pdbx_auth_asym_id'
|
| 82 |
+
16 4 'Structure model' '_struct_site.pdbx_auth_comp_id'
|
| 83 |
+
17 4 'Structure model' '_struct_site.pdbx_auth_seq_id'
|
| 84 |
+
#
|
| 85 |
+
_pdbx_database_status.status_code REL
|
| 86 |
+
_pdbx_database_status.entry_id 283D
|
| 87 |
+
_pdbx_database_status.recvd_initial_deposition_date 1996-09-03
|
| 88 |
+
_pdbx_database_status.deposit_site NDB
|
| 89 |
+
_pdbx_database_status.process_site NDB
|
| 90 |
+
_pdbx_database_status.SG_entry .
|
| 91 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 92 |
+
_pdbx_database_status.status_code_mr ?
|
| 93 |
+
_pdbx_database_status.status_code_sf ?
|
| 94 |
+
_pdbx_database_status.status_code_cs ?
|
| 95 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 96 |
+
_pdbx_database_status.methods_development_category ?
|
| 97 |
+
#
|
| 98 |
+
loop_
|
| 99 |
+
_audit_author.name
|
| 100 |
+
_audit_author.pdbx_ordinal
|
| 101 |
+
'Baeyens, K.J.' 1
|
| 102 |
+
'De Bondt, H.L.' 2
|
| 103 |
+
'Pardi, A.' 3
|
| 104 |
+
'Holbrook, S.R.' 4
|
| 105 |
+
#
|
| 106 |
+
_citation.id primary
|
| 107 |
+
_citation.title
|
| 108 |
+
'A curved RNA helix incorporating an internal loop with G.A and A.A non-Watson-Crick base pairing.'
|
| 109 |
+
_citation.journal_abbrev Proc.Natl.Acad.Sci.USA
|
| 110 |
+
_citation.journal_volume 93
|
| 111 |
+
_citation.page_first 12851
|
| 112 |
+
_citation.page_last 12855
|
| 113 |
+
_citation.year 1996
|
| 114 |
+
_citation.journal_id_ASTM PNASA6
|
| 115 |
+
_citation.country US
|
| 116 |
+
_citation.journal_id_ISSN 0027-8424
|
| 117 |
+
_citation.journal_id_CSD 0040
|
| 118 |
+
_citation.book_publisher ?
|
| 119 |
+
_citation.pdbx_database_id_PubMed 8917508
|
| 120 |
+
_citation.pdbx_database_id_DOI 10.1073/pnas.93.23.12851
|
| 121 |
+
#
|
| 122 |
+
loop_
|
| 123 |
+
_citation_author.citation_id
|
| 124 |
+
_citation_author.name
|
| 125 |
+
_citation_author.ordinal
|
| 126 |
+
_citation_author.identifier_ORCID
|
| 127 |
+
primary 'Baeyens, K.J.' 1 ?
|
| 128 |
+
primary 'De Bondt, H.L.' 2 ?
|
| 129 |
+
primary 'Pardi, A.' 3 ?
|
| 130 |
+
primary 'Holbrook, S.R.' 4 ?
|
| 131 |
+
#
|
| 132 |
+
loop_
|
| 133 |
+
_entity.id
|
| 134 |
+
_entity.type
|
| 135 |
+
_entity.src_method
|
| 136 |
+
_entity.pdbx_description
|
| 137 |
+
_entity.formula_weight
|
| 138 |
+
_entity.pdbx_number_of_molecules
|
| 139 |
+
_entity.pdbx_ec
|
| 140 |
+
_entity.pdbx_mutation
|
| 141 |
+
_entity.pdbx_fragment
|
| 142 |
+
_entity.details
|
| 143 |
+
1 polymer man
|
| 144 |
+
;RNA (5'-R(*GP*GP*CP*CP*GP*AP*AP*AP*GP*GP*CP*C)-3')
|
| 145 |
+
;
|
| 146 |
+
3889.416 1 ? ? ? ?
|
| 147 |
+
2 non-polymer syn 'MANGANESE (II) ION' 54.938 1 ? ? ? ?
|
| 148 |
+
3 water nat water 18.015 18 ? ? ? ?
|
| 149 |
+
#
|
| 150 |
+
_entity_poly.entity_id 1
|
| 151 |
+
_entity_poly.type polyribonucleotide
|
| 152 |
+
_entity_poly.nstd_linkage no
|
| 153 |
+
_entity_poly.nstd_monomer no
|
| 154 |
+
_entity_poly.pdbx_seq_one_letter_code GGCCGAAAGGCC
|
| 155 |
+
_entity_poly.pdbx_seq_one_letter_code_can GGCCGAAAGGCC
|
| 156 |
+
_entity_poly.pdbx_strand_id A
|
| 157 |
+
_entity_poly.pdbx_target_identifier ?
|
| 158 |
+
#
|
| 159 |
+
loop_
|
| 160 |
+
_pdbx_entity_nonpoly.entity_id
|
| 161 |
+
_pdbx_entity_nonpoly.name
|
| 162 |
+
_pdbx_entity_nonpoly.comp_id
|
| 163 |
+
2 'MANGANESE (II) ION' MN
|
| 164 |
+
3 water HOH
|
| 165 |
+
#
|
| 166 |
+
loop_
|
| 167 |
+
_entity_poly_seq.entity_id
|
| 168 |
+
_entity_poly_seq.num
|
| 169 |
+
_entity_poly_seq.mon_id
|
| 170 |
+
_entity_poly_seq.hetero
|
| 171 |
+
1 1 G n
|
| 172 |
+
1 2 G n
|
| 173 |
+
1 3 C n
|
| 174 |
+
1 4 C n
|
| 175 |
+
1 5 G n
|
| 176 |
+
1 6 A n
|
| 177 |
+
1 7 A n
|
| 178 |
+
1 8 A n
|
| 179 |
+
1 9 G n
|
| 180 |
+
1 10 G n
|
| 181 |
+
1 11 C n
|
| 182 |
+
1 12 C n
|
| 183 |
+
#
|
| 184 |
+
_entity_src_gen.entity_id 1
|
| 185 |
+
_entity_src_gen.pdbx_src_id 1
|
| 186 |
+
_entity_src_gen.pdbx_alt_source_flag sample
|
| 187 |
+
_entity_src_gen.pdbx_seq_type ?
|
| 188 |
+
_entity_src_gen.pdbx_beg_seq_num ?
|
| 189 |
+
_entity_src_gen.pdbx_end_seq_num ?
|
| 190 |
+
_entity_src_gen.gene_src_common_name ?
|
| 191 |
+
_entity_src_gen.gene_src_genus ?
|
| 192 |
+
_entity_src_gen.pdbx_gene_src_gene ?
|
| 193 |
+
_entity_src_gen.gene_src_species ?
|
| 194 |
+
_entity_src_gen.gene_src_strain ?
|
| 195 |
+
_entity_src_gen.gene_src_tissue ?
|
| 196 |
+
_entity_src_gen.gene_src_tissue_fraction ?
|
| 197 |
+
_entity_src_gen.gene_src_details ?
|
| 198 |
+
_entity_src_gen.pdbx_gene_src_fragment ?
|
| 199 |
+
_entity_src_gen.pdbx_gene_src_scientific_name ?
|
| 200 |
+
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id ?
|
| 201 |
+
_entity_src_gen.pdbx_gene_src_variant ?
|
| 202 |
+
_entity_src_gen.pdbx_gene_src_cell_line ?
|
| 203 |
+
_entity_src_gen.pdbx_gene_src_atcc ?
|
| 204 |
+
_entity_src_gen.pdbx_gene_src_organ ?
|
| 205 |
+
_entity_src_gen.pdbx_gene_src_organelle ?
|
| 206 |
+
_entity_src_gen.pdbx_gene_src_cell ?
|
| 207 |
+
_entity_src_gen.pdbx_gene_src_cellular_location ?
|
| 208 |
+
_entity_src_gen.host_org_common_name ?
|
| 209 |
+
_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21'
|
| 210 |
+
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 511693
|
| 211 |
+
_entity_src_gen.host_org_genus Escherichia
|
| 212 |
+
_entity_src_gen.pdbx_host_org_gene ?
|
| 213 |
+
_entity_src_gen.pdbx_host_org_organ ?
|
| 214 |
+
_entity_src_gen.host_org_species 'Escherichia coli'
|
| 215 |
+
_entity_src_gen.pdbx_host_org_tissue ?
|
| 216 |
+
_entity_src_gen.pdbx_host_org_tissue_fraction ?
|
| 217 |
+
_entity_src_gen.pdbx_host_org_strain BL21
|
| 218 |
+
_entity_src_gen.pdbx_host_org_variant ?
|
| 219 |
+
_entity_src_gen.pdbx_host_org_cell_line ?
|
| 220 |
+
_entity_src_gen.pdbx_host_org_atcc ?
|
| 221 |
+
_entity_src_gen.pdbx_host_org_culture_collection ?
|
| 222 |
+
_entity_src_gen.pdbx_host_org_cell ?
|
| 223 |
+
_entity_src_gen.pdbx_host_org_organelle ?
|
| 224 |
+
_entity_src_gen.pdbx_host_org_cellular_location ?
|
| 225 |
+
_entity_src_gen.pdbx_host_org_vector_type ?
|
| 226 |
+
_entity_src_gen.pdbx_host_org_vector ?
|
| 227 |
+
_entity_src_gen.host_org_details ?
|
| 228 |
+
_entity_src_gen.expression_system_id ?
|
| 229 |
+
_entity_src_gen.plasmid_name PAR1219
|
| 230 |
+
_entity_src_gen.plasmid_details ?
|
| 231 |
+
_entity_src_gen.pdbx_description
|
| 232 |
+
'THE DODECAMER WAS PREPARED BY TRANSCRIPTION WITH T7 RNA POLYMERASE FROM A SINGLE STRANDED DNA TEMPLATE.'
|
| 233 |
+
#
|
| 234 |
+
loop_
|
| 235 |
+
_chem_comp.id
|
| 236 |
+
_chem_comp.type
|
| 237 |
+
_chem_comp.mon_nstd_flag
|
| 238 |
+
_chem_comp.name
|
| 239 |
+
_chem_comp.pdbx_synonyms
|
| 240 |
+
_chem_comp.formula
|
| 241 |
+
_chem_comp.formula_weight
|
| 242 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 243 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 244 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 245 |
+
HOH non-polymer . WATER ? 'H2 O' 18.015
|
| 246 |
+
MN non-polymer . 'MANGANESE (II) ION' ? 'Mn 2' 54.938
|
| 247 |
+
#
|
| 248 |
+
loop_
|
| 249 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 250 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 251 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 252 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 253 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 254 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 255 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 256 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 257 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 258 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 259 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 260 |
+
_pdbx_poly_seq_scheme.hetero
|
| 261 |
+
A 1 1 G 1 1 1 G G A . n
|
| 262 |
+
A 1 2 G 2 2 2 G G A . n
|
| 263 |
+
A 1 3 C 3 3 3 C C A . n
|
| 264 |
+
A 1 4 C 4 4 4 C C A . n
|
| 265 |
+
A 1 5 G 5 5 5 G G A . n
|
| 266 |
+
A 1 6 A 6 6 6 A A A . n
|
| 267 |
+
A 1 7 A 7 7 7 A A A . n
|
| 268 |
+
A 1 8 A 8 8 8 A A A . n
|
| 269 |
+
A 1 9 G 9 9 9 G G A . n
|
| 270 |
+
A 1 10 G 10 10 10 G G A . n
|
| 271 |
+
A 1 11 C 11 11 11 C C A . n
|
| 272 |
+
A 1 12 C 12 12 12 C C A . n
|
| 273 |
+
#
|
| 274 |
+
loop_
|
| 275 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 276 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 277 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 278 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 279 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 280 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 281 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 282 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 283 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 284 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 285 |
+
B 2 MN 1 13 13 MN MN A .
|
| 286 |
+
C 3 HOH 1 14 14 HOH HOH A .
|
| 287 |
+
C 3 HOH 2 15 15 HOH HOH A .
|
| 288 |
+
C 3 HOH 3 16 16 HOH HOH A .
|
| 289 |
+
C 3 HOH 4 17 17 HOH HOH A .
|
| 290 |
+
C 3 HOH 5 18 18 HOH HOH A .
|
| 291 |
+
C 3 HOH 6 19 19 HOH HOH A .
|
| 292 |
+
C 3 HOH 7 20 20 HOH HOH A .
|
| 293 |
+
C 3 HOH 8 21 21 HOH HOH A .
|
| 294 |
+
C 3 HOH 9 22 22 HOH HOH A .
|
| 295 |
+
C 3 HOH 10 23 23 HOH HOH A .
|
| 296 |
+
C 3 HOH 11 24 24 HOH HOH A .
|
| 297 |
+
C 3 HOH 12 25 25 HOH HOH A .
|
| 298 |
+
C 3 HOH 13 26 26 HOH HOH A .
|
| 299 |
+
C 3 HOH 14 27 27 HOH HOH A .
|
| 300 |
+
C 3 HOH 15 28 28 HOH HOH A .
|
| 301 |
+
C 3 HOH 16 29 29 HOH HOH A .
|
| 302 |
+
C 3 HOH 17 30 30 HOH HOH A .
|
| 303 |
+
C 3 HOH 18 31 31 HOH HOH A .
|
| 304 |
+
#
|
| 305 |
+
loop_
|
| 306 |
+
_software.name
|
| 307 |
+
_software.classification
|
| 308 |
+
_software.version
|
| 309 |
+
_software.citation_id
|
| 310 |
+
_software.pdbx_ordinal
|
| 311 |
+
X-PLOR refinement . ? 1
|
| 312 |
+
R-AXIS 'data reduction' . ? 2
|
| 313 |
+
AMoRE phasing . ? 3
|
| 314 |
+
#
|
| 315 |
+
_cell.entry_id 283D
|
| 316 |
+
_cell.length_a 37.710
|
| 317 |
+
_cell.length_b 37.710
|
| 318 |
+
_cell.length_c 88.300
|
| 319 |
+
_cell.angle_alpha 90.00
|
| 320 |
+
_cell.angle_beta 90.00
|
| 321 |
+
_cell.angle_gamma 120.00
|
| 322 |
+
_cell.Z_PDB 12
|
| 323 |
+
_cell.pdbx_unique_axis ?
|
| 324 |
+
#
|
| 325 |
+
_symmetry.entry_id 283D
|
| 326 |
+
_symmetry.space_group_name_H-M 'P 65 2 2'
|
| 327 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 328 |
+
_symmetry.cell_setting ?
|
| 329 |
+
_symmetry.Int_Tables_number 179
|
| 330 |
+
#
|
| 331 |
+
_exptl.entry_id 283D
|
| 332 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 333 |
+
_exptl.crystals_number 1
|
| 334 |
+
#
|
| 335 |
+
_exptl_crystal.id 1
|
| 336 |
+
_exptl_crystal.density_meas ?
|
| 337 |
+
_exptl_crystal.density_Matthews 2.33
|
| 338 |
+
_exptl_crystal.density_percent_sol 51.2000
|
| 339 |
+
_exptl_crystal.description ?
|
| 340 |
+
#
|
| 341 |
+
_exptl_crystal_grow.crystal_id 1
|
| 342 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
|
| 343 |
+
_exptl_crystal_grow.temp ?
|
| 344 |
+
_exptl_crystal_grow.temp_details 'ROOM TEMPERATURE'
|
| 345 |
+
_exptl_crystal_grow.pH 7.50
|
| 346 |
+
_exptl_crystal_grow.pdbx_details 'pH 7.50, VAPOR DIFFUSION, HANGING DROP'
|
| 347 |
+
_exptl_crystal_grow.pdbx_pH_range ?
|
| 348 |
+
#
|
| 349 |
+
loop_
|
| 350 |
+
_exptl_crystal_grow_comp.crystal_id
|
| 351 |
+
_exptl_crystal_grow_comp.id
|
| 352 |
+
_exptl_crystal_grow_comp.sol_id
|
| 353 |
+
_exptl_crystal_grow_comp.name
|
| 354 |
+
_exptl_crystal_grow_comp.volume
|
| 355 |
+
_exptl_crystal_grow_comp.conc
|
| 356 |
+
_exptl_crystal_grow_comp.details
|
| 357 |
+
1 1 1 WATER ? ? ?
|
| 358 |
+
1 2 1 'PEG 400' ? ? ?
|
| 359 |
+
1 3 1 NACL ? ? ?
|
| 360 |
+
1 4 1 MNCL2 ? ? ?
|
| 361 |
+
1 5 1 BIS-TRIS-PROPANE_HCL ? ? ?
|
| 362 |
+
#
|
| 363 |
+
_diffrn.id 1
|
| 364 |
+
_diffrn.crystal_id 1
|
| 365 |
+
_diffrn.ambient_temp ?
|
| 366 |
+
_diffrn.ambient_temp_details ?
|
| 367 |
+
#
|
| 368 |
+
_diffrn_detector.diffrn_id 1
|
| 369 |
+
_diffrn_detector.detector 'IMAGE PLATE'
|
| 370 |
+
_diffrn_detector.type MARRESEARCH
|
| 371 |
+
_diffrn_detector.pdbx_collection_date 1992-10-10
|
| 372 |
+
_diffrn_detector.details ?
|
| 373 |
+
#
|
| 374 |
+
_diffrn_radiation.diffrn_id 1
|
| 375 |
+
_diffrn_radiation.wavelength_id 1
|
| 376 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 377 |
+
_diffrn_radiation.monochromator ?
|
| 378 |
+
_diffrn_radiation.pdbx_diffrn_protocol ?
|
| 379 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 380 |
+
#
|
| 381 |
+
_diffrn_radiation_wavelength.id 1
|
| 382 |
+
_diffrn_radiation_wavelength.wavelength .
|
| 383 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 384 |
+
#
|
| 385 |
+
_diffrn_source.diffrn_id 1
|
| 386 |
+
_diffrn_source.source SYNCHROTRON
|
| 387 |
+
_diffrn_source.type 'SSRL BEAMLINE BL7-1'
|
| 388 |
+
_diffrn_source.pdbx_synchrotron_site SSRL
|
| 389 |
+
_diffrn_source.pdbx_synchrotron_beamline BL7-1
|
| 390 |
+
_diffrn_source.pdbx_wavelength ?
|
| 391 |
+
_diffrn_source.pdbx_wavelength_list ?
|
| 392 |
+
#
|
| 393 |
+
_reflns.entry_id 283D
|
| 394 |
+
_reflns.observed_criterion_sigma_I 0.000
|
| 395 |
+
_reflns.observed_criterion_sigma_F ?
|
| 396 |
+
_reflns.d_resolution_low 25.000
|
| 397 |
+
_reflns.d_resolution_high 2.300
|
| 398 |
+
_reflns.number_obs 1811
|
| 399 |
+
_reflns.number_all ?
|
| 400 |
+
_reflns.percent_possible_obs 94.300
|
| 401 |
+
_reflns.pdbx_Rmerge_I_obs 0.0745000
|
| 402 |
+
_reflns.pdbx_Rsym_value ?
|
| 403 |
+
_reflns.pdbx_netI_over_sigmaI 2.800
|
| 404 |
+
_reflns.B_iso_Wilson_estimate ?
|
| 405 |
+
_reflns.pdbx_redundancy 2.850
|
| 406 |
+
_reflns.pdbx_diffrn_id 1
|
| 407 |
+
_reflns.pdbx_ordinal 1
|
| 408 |
+
#
|
| 409 |
+
_refine.entry_id 283D
|
| 410 |
+
_refine.ls_number_reflns_obs 1502
|
| 411 |
+
_refine.ls_number_reflns_all ?
|
| 412 |
+
_refine.pdbx_ls_sigma_I ?
|
| 413 |
+
_refine.pdbx_ls_sigma_F 3.000
|
| 414 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 415 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 416 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 417 |
+
_refine.ls_d_res_low 8.000
|
| 418 |
+
_refine.ls_d_res_high 2.300
|
| 419 |
+
_refine.ls_percent_reflns_obs ?
|
| 420 |
+
_refine.ls_R_factor_obs 0.1860000
|
| 421 |
+
_refine.ls_R_factor_all ?
|
| 422 |
+
_refine.ls_R_factor_R_work 0.1860000
|
| 423 |
+
_refine.ls_R_factor_R_free 0.1980000
|
| 424 |
+
_refine.ls_R_factor_R_free_error ?
|
| 425 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 426 |
+
_refine.ls_percent_reflns_R_free 10.00
|
| 427 |
+
_refine.ls_number_reflns_R_free 138
|
| 428 |
+
_refine.ls_number_parameters ?
|
| 429 |
+
_refine.ls_number_restraints 22
|
| 430 |
+
_refine.occupancy_min ?
|
| 431 |
+
_refine.occupancy_max ?
|
| 432 |
+
_refine.B_iso_mean 23.64
|
| 433 |
+
_refine.aniso_B[1][1] ?
|
| 434 |
+
_refine.aniso_B[2][2] ?
|
| 435 |
+
_refine.aniso_B[3][3] ?
|
| 436 |
+
_refine.aniso_B[1][2] ?
|
| 437 |
+
_refine.aniso_B[1][3] ?
|
| 438 |
+
_refine.aniso_B[2][3] ?
|
| 439 |
+
_refine.solvent_model_details ?
|
| 440 |
+
_refine.solvent_model_param_ksol ?
|
| 441 |
+
_refine.solvent_model_param_bsol ?
|
| 442 |
+
_refine.pdbx_ls_cross_valid_method FREE-R
|
| 443 |
+
_refine.details ?
|
| 444 |
+
_refine.pdbx_starting_model 'STANDARD A-FORM DUPLEX AND ARL048'
|
| 445 |
+
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
|
| 446 |
+
_refine.pdbx_isotropic_thermal_model ?
|
| 447 |
+
_refine.pdbx_stereochemistry_target_values ?
|
| 448 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 449 |
+
_refine.pdbx_R_Free_selection_details RANDOM
|
| 450 |
+
_refine.pdbx_overall_ESU_R ?
|
| 451 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 452 |
+
_refine.overall_SU_ML ?
|
| 453 |
+
_refine.overall_SU_B ?
|
| 454 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 455 |
+
_refine.pdbx_diffrn_id 1
|
| 456 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 457 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 458 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 459 |
+
_refine.pdbx_solvent_vdw_probe_radii ?
|
| 460 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 461 |
+
_refine.pdbx_solvent_shrinkage_radii ?
|
| 462 |
+
_refine.pdbx_overall_phase_error ?
|
| 463 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 464 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 465 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 466 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 467 |
+
#
|
| 468 |
+
_refine_analyze.entry_id 283D
|
| 469 |
+
_refine_analyze.Luzzati_coordinate_error_obs 0.30
|
| 470 |
+
_refine_analyze.Luzzati_sigma_a_obs ?
|
| 471 |
+
_refine_analyze.Luzzati_d_res_low_obs ?
|
| 472 |
+
_refine_analyze.Luzzati_coordinate_error_free ?
|
| 473 |
+
_refine_analyze.Luzzati_sigma_a_free ?
|
| 474 |
+
_refine_analyze.Luzzati_d_res_low_free ?
|
| 475 |
+
_refine_analyze.number_disordered_residues ?
|
| 476 |
+
_refine_analyze.occupancy_sum_hydrogen ?
|
| 477 |
+
_refine_analyze.occupancy_sum_non_hydrogen ?
|
| 478 |
+
_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 479 |
+
#
|
| 480 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 481 |
+
_refine_hist.cycle_id LAST
|
| 482 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 483 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 258
|
| 484 |
+
_refine_hist.pdbx_number_atoms_ligand 1
|
| 485 |
+
_refine_hist.number_atoms_solvent 18
|
| 486 |
+
_refine_hist.number_atoms_total 277
|
| 487 |
+
_refine_hist.d_res_high 2.300
|
| 488 |
+
_refine_hist.d_res_low 8.000
|
| 489 |
+
#
|
| 490 |
+
loop_
|
| 491 |
+
_refine_ls_restr.type
|
| 492 |
+
_refine_ls_restr.dev_ideal
|
| 493 |
+
_refine_ls_restr.dev_ideal_target
|
| 494 |
+
_refine_ls_restr.weight
|
| 495 |
+
_refine_ls_restr.number
|
| 496 |
+
_refine_ls_restr.pdbx_refine_id
|
| 497 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 498 |
+
x_bond_d 0.020 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 499 |
+
x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 500 |
+
x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 501 |
+
x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 502 |
+
x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 503 |
+
x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 504 |
+
x_angle_deg 1.15 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 505 |
+
x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 506 |
+
x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 507 |
+
x_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 508 |
+
x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 509 |
+
x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 510 |
+
x_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 511 |
+
x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 512 |
+
x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 513 |
+
x_mcbond_it 1.300 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 514 |
+
x_mcangle_it 1.700 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 515 |
+
x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 516 |
+
x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 517 |
+
#
|
| 518 |
+
_database_PDB_matrix.entry_id 283D
|
| 519 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 520 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 521 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 522 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 523 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 524 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 525 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 526 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 527 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 528 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 529 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 530 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 531 |
+
#
|
| 532 |
+
_struct.entry_id 283D
|
| 533 |
+
_struct.title
|
| 534 |
+
'A CURVED RNA HELIX INCORPORATING AN INTERNAL LOOP WITH G-A AND A-A NON-WATSON-CRICK BASE PAIRING'
|
| 535 |
+
_struct.pdbx_model_details ?
|
| 536 |
+
_struct.pdbx_CASP_flag ?
|
| 537 |
+
_struct.pdbx_model_type_details ?
|
| 538 |
+
#
|
| 539 |
+
_struct_keywords.entry_id 283D
|
| 540 |
+
_struct_keywords.pdbx_keywords RNA
|
| 541 |
+
_struct_keywords.text 'UNUSUAL RNA, DOUBLE HELIX, CURVED, INTERNAL LOOP, MISMATCHED, RNA'
|
| 542 |
+
#
|
| 543 |
+
loop_
|
| 544 |
+
_struct_asym.id
|
| 545 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 546 |
+
_struct_asym.pdbx_modified
|
| 547 |
+
_struct_asym.entity_id
|
| 548 |
+
_struct_asym.details
|
| 549 |
+
A N N 1 ?
|
| 550 |
+
B N N 2 ?
|
| 551 |
+
C N N 3 ?
|
| 552 |
+
#
|
| 553 |
+
_struct_ref.id 1
|
| 554 |
+
_struct_ref.entity_id 1
|
| 555 |
+
_struct_ref.db_name PDB
|
| 556 |
+
_struct_ref.db_code 283D
|
| 557 |
+
_struct_ref.pdbx_db_accession 283D
|
| 558 |
+
_struct_ref.pdbx_db_isoform ?
|
| 559 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 560 |
+
_struct_ref.pdbx_align_begin ?
|
| 561 |
+
#
|
| 562 |
+
_struct_ref_seq.align_id 1
|
| 563 |
+
_struct_ref_seq.ref_id 1
|
| 564 |
+
_struct_ref_seq.pdbx_PDB_id_code 283D
|
| 565 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 566 |
+
_struct_ref_seq.seq_align_beg 1
|
| 567 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 568 |
+
_struct_ref_seq.seq_align_end 12
|
| 569 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 570 |
+
_struct_ref_seq.pdbx_db_accession 283D
|
| 571 |
+
_struct_ref_seq.db_align_beg 1
|
| 572 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 573 |
+
_struct_ref_seq.db_align_end 12
|
| 574 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 575 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 576 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 12
|
| 577 |
+
#
|
| 578 |
+
_pdbx_struct_assembly.id 1
|
| 579 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 580 |
+
_pdbx_struct_assembly.method_details ?
|
| 581 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 582 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 583 |
+
#
|
| 584 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 585 |
+
_pdbx_struct_assembly_gen.oper_expression 1,2
|
| 586 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B,C
|
| 587 |
+
#
|
| 588 |
+
loop_
|
| 589 |
+
_pdbx_struct_oper_list.id
|
| 590 |
+
_pdbx_struct_oper_list.type
|
| 591 |
+
_pdbx_struct_oper_list.name
|
| 592 |
+
_pdbx_struct_oper_list.symmetry_operation
|
| 593 |
+
_pdbx_struct_oper_list.matrix[1][1]
|
| 594 |
+
_pdbx_struct_oper_list.matrix[1][2]
|
| 595 |
+
_pdbx_struct_oper_list.matrix[1][3]
|
| 596 |
+
_pdbx_struct_oper_list.vector[1]
|
| 597 |
+
_pdbx_struct_oper_list.matrix[2][1]
|
| 598 |
+
_pdbx_struct_oper_list.matrix[2][2]
|
| 599 |
+
_pdbx_struct_oper_list.matrix[2][3]
|
| 600 |
+
_pdbx_struct_oper_list.vector[2]
|
| 601 |
+
_pdbx_struct_oper_list.matrix[3][1]
|
| 602 |
+
_pdbx_struct_oper_list.matrix[3][2]
|
| 603 |
+
_pdbx_struct_oper_list.matrix[3][3]
|
| 604 |
+
_pdbx_struct_oper_list.vector[3]
|
| 605 |
+
1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
|
| 606 |
+
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
|
| 607 |
+
2 'crystal symmetry operation' 12_555 x,x-y,-z+5/6 0.5000000000 0.8660254038 0.0000000000 0.0000000000 0.8660254038 -0.5000000000
|
| 608 |
+
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 73.5833333333
|
| 609 |
+
#
|
| 610 |
+
_struct_biol.id 1
|
| 611 |
+
#
|
| 612 |
+
loop_
|
| 613 |
+
_struct_conn.id
|
| 614 |
+
_struct_conn.conn_type_id
|
| 615 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 616 |
+
_struct_conn.pdbx_PDB_id
|
| 617 |
+
_struct_conn.ptnr1_label_asym_id
|
| 618 |
+
_struct_conn.ptnr1_label_comp_id
|
| 619 |
+
_struct_conn.ptnr1_label_seq_id
|
| 620 |
+
_struct_conn.ptnr1_label_atom_id
|
| 621 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 622 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 623 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 624 |
+
_struct_conn.ptnr1_symmetry
|
| 625 |
+
_struct_conn.ptnr2_label_asym_id
|
| 626 |
+
_struct_conn.ptnr2_label_comp_id
|
| 627 |
+
_struct_conn.ptnr2_label_seq_id
|
| 628 |
+
_struct_conn.ptnr2_label_atom_id
|
| 629 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 630 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 631 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 632 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 633 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 634 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 635 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 636 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 637 |
+
_struct_conn.ptnr2_symmetry
|
| 638 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 639 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 640 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 641 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 642 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 643 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 644 |
+
_struct_conn.details
|
| 645 |
+
_struct_conn.pdbx_dist_value
|
| 646 |
+
_struct_conn.pdbx_value_order
|
| 647 |
+
_struct_conn.pdbx_role
|
| 648 |
+
metalc1 metalc ? ? A A 8 OP2 ? ? ? 1_555 B MN . MN ? ? A A 8 A MN 13 1_555 ? ? ? ? ? ? ? 2.147 ? ?
|
| 649 |
+
metalc2 metalc ? ? A G 9 N7 ? ? ? 1_555 B MN . MN ? ? A G 9 A MN 13 1_555 ? ? ? ? ? ? ? 2.290 ? ?
|
| 650 |
+
metalc3 metalc ? ? B MN . MN ? ? ? 1_555 C HOH . O ? ? A MN 13 A HOH 24 1_555 ? ? ? ? ? ? ? 2.216 ? ?
|
| 651 |
+
metalc4 metalc ? ? B MN . MN ? ? ? 1_555 C HOH . O ? ? A MN 13 A HOH 29 1_555 ? ? ? ? ? ? ? 2.085 ? ?
|
| 652 |
+
hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 1 A C 12 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 653 |
+
hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 1 A C 12 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 654 |
+
hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 1 A C 12 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 655 |
+
hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 11 N3 ? ? A G 2 A C 11 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 656 |
+
hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 11 O2 ? ? A G 2 A C 11 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 657 |
+
hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 11 N4 ? ? A G 2 A C 11 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 658 |
+
hydrog7 hydrog ? ? A C 3 N3 ? ? ? 1_555 A G 10 N1 ? ? A C 3 A G 10 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 659 |
+
hydrog8 hydrog ? ? A C 3 N4 ? ? ? 1_555 A G 10 O6 ? ? A C 3 A G 10 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 660 |
+
hydrog9 hydrog ? ? A C 3 O2 ? ? ? 1_555 A G 10 N2 ? ? A C 3 A G 10 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 661 |
+
hydrog10 hydrog ? ? A C 4 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 4 A G 9 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 662 |
+
hydrog11 hydrog ? ? A C 4 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 4 A G 9 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 663 |
+
hydrog12 hydrog ? ? A C 4 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 4 A G 9 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 664 |
+
hydrog13 hydrog ? ? A G 5 N2 ? ? ? 1_555 A A 8 N7 ? ? A G 5 A A 8 12_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 665 |
+
hydrog14 hydrog ? ? A G 5 N3 ? ? ? 1_555 A A 8 N6 ? ? A G 5 A A 8 12_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 666 |
+
hydrog15 hydrog ? ? A A 6 N6 ? ? ? 1_555 A A 7 N1 ? ? A A 6 A A 7 12_555 ? ? ? ? ? ? TYPE_5_PAIR ? ? ?
|
| 667 |
+
hydrog16 hydrog ? ? A A 6 N7 ? ? ? 1_555 A A 7 N6 ? ? A A 6 A A 7 12_555 ? ? ? ? ? ? TYPE_5_PAIR ? ? ?
|
| 668 |
+
hydrog17 hydrog ? ? A A 7 N1 ? ? ? 1_555 A A 6 N6 ? ? A A 7 A A 6 12_555 ? ? ? ? ? ? TYPE_5_PAIR ? ? ?
|
| 669 |
+
hydrog18 hydrog ? ? A A 7 N6 ? ? ? 1_555 A A 6 N7 ? ? A A 7 A A 6 12_555 ? ? ? ? ? ? TYPE_5_PAIR ? ? ?
|
| 670 |
+
hydrog19 hydrog ? ? A A 8 N6 ? ? ? 1_555 A G 5 N3 ? ? A A 8 A G 5 12_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 671 |
+
hydrog20 hydrog ? ? A A 8 N7 ? ? ? 1_555 A G 5 N2 ? ? A A 8 A G 5 12_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 672 |
+
hydrog21 hydrog ? ? A G 9 N1 ? ? ? 1_555 A C 4 N3 ? ? A G 9 A C 4 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 673 |
+
hydrog22 hydrog ? ? A G 9 N2 ? ? ? 1_555 A C 4 O2 ? ? A G 9 A C 4 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 674 |
+
hydrog23 hydrog ? ? A G 9 O6 ? ? ? 1_555 A C 4 N4 ? ? A G 9 A C 4 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 675 |
+
hydrog24 hydrog ? ? A G 10 N1 ? ? ? 1_555 A C 3 N3 ? ? A G 10 A C 3 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 676 |
+
hydrog25 hydrog ? ? A G 10 N2 ? ? ? 1_555 A C 3 O2 ? ? A G 10 A C 3 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 677 |
+
hydrog26 hydrog ? ? A G 10 O6 ? ? ? 1_555 A C 3 N4 ? ? A G 10 A C 3 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 678 |
+
hydrog27 hydrog ? ? A C 11 N3 ? ? ? 1_555 A G 2 N1 ? ? A C 11 A G 2 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 679 |
+
hydrog28 hydrog ? ? A C 11 N4 ? ? ? 1_555 A G 2 O6 ? ? A C 11 A G 2 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 680 |
+
hydrog29 hydrog ? ? A C 11 O2 ? ? ? 1_555 A G 2 N2 ? ? A C 11 A G 2 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 681 |
+
hydrog30 hydrog ? ? A C 12 N3 ? ? ? 1_555 A G 1 N1 ? ? A C 12 A G 1 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 682 |
+
hydrog31 hydrog ? ? A C 12 N4 ? ? ? 1_555 A G 1 O6 ? ? A C 12 A G 1 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 683 |
+
hydrog32 hydrog ? ? A C 12 O2 ? ? ? 1_555 A G 1 N2 ? ? A C 12 A G 1 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 684 |
+
#
|
| 685 |
+
loop_
|
| 686 |
+
_struct_conn_type.id
|
| 687 |
+
_struct_conn_type.criteria
|
| 688 |
+
_struct_conn_type.reference
|
| 689 |
+
metalc ? ?
|
| 690 |
+
hydrog ? ?
|
| 691 |
+
#
|
| 692 |
+
loop_
|
| 693 |
+
_pdbx_struct_conn_angle.id
|
| 694 |
+
_pdbx_struct_conn_angle.ptnr1_label_atom_id
|
| 695 |
+
_pdbx_struct_conn_angle.ptnr1_label_alt_id
|
| 696 |
+
_pdbx_struct_conn_angle.ptnr1_label_asym_id
|
| 697 |
+
_pdbx_struct_conn_angle.ptnr1_label_comp_id
|
| 698 |
+
_pdbx_struct_conn_angle.ptnr1_label_seq_id
|
| 699 |
+
_pdbx_struct_conn_angle.ptnr1_auth_atom_id
|
| 700 |
+
_pdbx_struct_conn_angle.ptnr1_auth_asym_id
|
| 701 |
+
_pdbx_struct_conn_angle.ptnr1_auth_comp_id
|
| 702 |
+
_pdbx_struct_conn_angle.ptnr1_auth_seq_id
|
| 703 |
+
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code
|
| 704 |
+
_pdbx_struct_conn_angle.ptnr1_symmetry
|
| 705 |
+
_pdbx_struct_conn_angle.ptnr2_label_atom_id
|
| 706 |
+
_pdbx_struct_conn_angle.ptnr2_label_alt_id
|
| 707 |
+
_pdbx_struct_conn_angle.ptnr2_label_asym_id
|
| 708 |
+
_pdbx_struct_conn_angle.ptnr2_label_comp_id
|
| 709 |
+
_pdbx_struct_conn_angle.ptnr2_label_seq_id
|
| 710 |
+
_pdbx_struct_conn_angle.ptnr2_auth_atom_id
|
| 711 |
+
_pdbx_struct_conn_angle.ptnr2_auth_asym_id
|
| 712 |
+
_pdbx_struct_conn_angle.ptnr2_auth_comp_id
|
| 713 |
+
_pdbx_struct_conn_angle.ptnr2_auth_seq_id
|
| 714 |
+
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code
|
| 715 |
+
_pdbx_struct_conn_angle.ptnr2_symmetry
|
| 716 |
+
_pdbx_struct_conn_angle.ptnr3_label_atom_id
|
| 717 |
+
_pdbx_struct_conn_angle.ptnr3_label_alt_id
|
| 718 |
+
_pdbx_struct_conn_angle.ptnr3_label_asym_id
|
| 719 |
+
_pdbx_struct_conn_angle.ptnr3_label_comp_id
|
| 720 |
+
_pdbx_struct_conn_angle.ptnr3_label_seq_id
|
| 721 |
+
_pdbx_struct_conn_angle.ptnr3_auth_atom_id
|
| 722 |
+
_pdbx_struct_conn_angle.ptnr3_auth_asym_id
|
| 723 |
+
_pdbx_struct_conn_angle.ptnr3_auth_comp_id
|
| 724 |
+
_pdbx_struct_conn_angle.ptnr3_auth_seq_id
|
| 725 |
+
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code
|
| 726 |
+
_pdbx_struct_conn_angle.ptnr3_symmetry
|
| 727 |
+
_pdbx_struct_conn_angle.value
|
| 728 |
+
_pdbx_struct_conn_angle.value_esd
|
| 729 |
+
1 OP2 ? A A 8 ? A A 8 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 N7 ? A G 9 ? A G 9 ? 1_555 102.6 ?
|
| 730 |
+
2 OP2 ? A A 8 ? A A 8 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 O ? C HOH . ? A HOH 24 ? 1_555 66.3 ?
|
| 731 |
+
3 N7 ? A G 9 ? A G 9 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 O ? C HOH . ? A HOH 24 ? 1_555 72.5 ?
|
| 732 |
+
4 OP2 ? A A 8 ? A A 8 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 O ? C HOH . ? A HOH 29 ? 1_555 79.0 ?
|
| 733 |
+
5 N7 ? A G 9 ? A G 9 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 O ? C HOH . ? A HOH 29 ? 1_555 77.1 ?
|
| 734 |
+
6 O ? C HOH . ? A HOH 24 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 O ? C HOH . ? A HOH 29 ? 1_555 126.3 ?
|
| 735 |
+
#
|
| 736 |
+
_struct_site.id AC1
|
| 737 |
+
_struct_site.pdbx_evidence_code Software
|
| 738 |
+
_struct_site.pdbx_auth_asym_id A
|
| 739 |
+
_struct_site.pdbx_auth_comp_id MN
|
| 740 |
+
_struct_site.pdbx_auth_seq_id 13
|
| 741 |
+
_struct_site.pdbx_auth_ins_code ?
|
| 742 |
+
_struct_site.pdbx_num_residues 5
|
| 743 |
+
_struct_site.details 'BINDING SITE FOR RESIDUE MN A 13'
|
| 744 |
+
#
|
| 745 |
+
loop_
|
| 746 |
+
_struct_site_gen.id
|
| 747 |
+
_struct_site_gen.site_id
|
| 748 |
+
_struct_site_gen.pdbx_num_res
|
| 749 |
+
_struct_site_gen.label_comp_id
|
| 750 |
+
_struct_site_gen.label_asym_id
|
| 751 |
+
_struct_site_gen.label_seq_id
|
| 752 |
+
_struct_site_gen.pdbx_auth_ins_code
|
| 753 |
+
_struct_site_gen.auth_comp_id
|
| 754 |
+
_struct_site_gen.auth_asym_id
|
| 755 |
+
_struct_site_gen.auth_seq_id
|
| 756 |
+
_struct_site_gen.label_atom_id
|
| 757 |
+
_struct_site_gen.label_alt_id
|
| 758 |
+
_struct_site_gen.symmetry
|
| 759 |
+
_struct_site_gen.details
|
| 760 |
+
1 AC1 5 A A 8 ? A A 8 . ? 1_555 ?
|
| 761 |
+
2 AC1 5 G A 9 ? G A 9 . ? 1_555 ?
|
| 762 |
+
3 AC1 5 HOH C . ? HOH A 24 . ? 1_555 ?
|
| 763 |
+
4 AC1 5 HOH C . ? HOH A 27 . ? 1_555 ?
|
| 764 |
+
5 AC1 5 HOH C . ? HOH A 29 . ? 1_555 ?
|
| 765 |
+
#
|
| 766 |
+
loop_
|
| 767 |
+
_refine_B_iso.class
|
| 768 |
+
_refine_B_iso.details
|
| 769 |
+
_refine_B_iso.treatment
|
| 770 |
+
_refine_B_iso.pdbx_refine_id
|
| 771 |
+
'ALL ATOMS' TR isotropic 'X-RAY DIFFRACTION'
|
| 772 |
+
'ALL WATERS' TR isotropic 'X-RAY DIFFRACTION'
|
| 773 |
+
#
|
| 774 |
+
loop_
|
| 775 |
+
_refine_occupancy.class
|
| 776 |
+
_refine_occupancy.treatment
|
| 777 |
+
_refine_occupancy.pdbx_refine_id
|
| 778 |
+
'ALL ATOMS' fix 'X-RAY DIFFRACTION'
|
| 779 |
+
'ALL WATERS' fix 'X-RAY DIFFRACTION'
|
| 780 |
+
#
|
| 781 |
+
loop_
|
| 782 |
+
_chem_comp_atom.comp_id
|
| 783 |
+
_chem_comp_atom.atom_id
|
| 784 |
+
_chem_comp_atom.type_symbol
|
| 785 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 786 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 787 |
+
_chem_comp_atom.pdbx_ordinal
|
| 788 |
+
A OP3 O N N 1
|
| 789 |
+
A P P N N 2
|
| 790 |
+
A OP1 O N N 3
|
| 791 |
+
A OP2 O N N 4
|
| 792 |
+
A "O5'" O N N 5
|
| 793 |
+
A "C5'" C N N 6
|
| 794 |
+
A "C4'" C N R 7
|
| 795 |
+
A "O4'" O N N 8
|
| 796 |
+
A "C3'" C N S 9
|
| 797 |
+
A "O3'" O N N 10
|
| 798 |
+
A "C2'" C N R 11
|
| 799 |
+
A "O2'" O N N 12
|
| 800 |
+
A "C1'" C N R 13
|
| 801 |
+
A N9 N Y N 14
|
| 802 |
+
A C8 C Y N 15
|
| 803 |
+
A N7 N Y N 16
|
| 804 |
+
A C5 C Y N 17
|
| 805 |
+
A C6 C Y N 18
|
| 806 |
+
A N6 N N N 19
|
| 807 |
+
A N1 N Y N 20
|
| 808 |
+
A C2 C Y N 21
|
| 809 |
+
A N3 N Y N 22
|
| 810 |
+
A C4 C Y N 23
|
| 811 |
+
A HOP3 H N N 24
|
| 812 |
+
A HOP2 H N N 25
|
| 813 |
+
A "H5'" H N N 26
|
| 814 |
+
A "H5''" H N N 27
|
| 815 |
+
A "H4'" H N N 28
|
| 816 |
+
A "H3'" H N N 29
|
| 817 |
+
A "HO3'" H N N 30
|
| 818 |
+
A "H2'" H N N 31
|
| 819 |
+
A "HO2'" H N N 32
|
| 820 |
+
A "H1'" H N N 33
|
| 821 |
+
A H8 H N N 34
|
| 822 |
+
A H61 H N N 35
|
| 823 |
+
A H62 H N N 36
|
| 824 |
+
A H2 H N N 37
|
| 825 |
+
C OP3 O N N 38
|
| 826 |
+
C P P N N 39
|
| 827 |
+
C OP1 O N N 40
|
| 828 |
+
C OP2 O N N 41
|
| 829 |
+
C "O5'" O N N 42
|
| 830 |
+
C "C5'" C N N 43
|
| 831 |
+
C "C4'" C N R 44
|
| 832 |
+
C "O4'" O N N 45
|
| 833 |
+
C "C3'" C N S 46
|
| 834 |
+
C "O3'" O N N 47
|
| 835 |
+
C "C2'" C N R 48
|
| 836 |
+
C "O2'" O N N 49
|
| 837 |
+
C "C1'" C N R 50
|
| 838 |
+
C N1 N N N 51
|
| 839 |
+
C C2 C N N 52
|
| 840 |
+
C O2 O N N 53
|
| 841 |
+
C N3 N N N 54
|
| 842 |
+
C C4 C N N 55
|
| 843 |
+
C N4 N N N 56
|
| 844 |
+
C C5 C N N 57
|
| 845 |
+
C C6 C N N 58
|
| 846 |
+
C HOP3 H N N 59
|
| 847 |
+
C HOP2 H N N 60
|
| 848 |
+
C "H5'" H N N 61
|
| 849 |
+
C "H5''" H N N 62
|
| 850 |
+
C "H4'" H N N 63
|
| 851 |
+
C "H3'" H N N 64
|
| 852 |
+
C "HO3'" H N N 65
|
| 853 |
+
C "H2'" H N N 66
|
| 854 |
+
C "HO2'" H N N 67
|
| 855 |
+
C "H1'" H N N 68
|
| 856 |
+
C H41 H N N 69
|
| 857 |
+
C H42 H N N 70
|
| 858 |
+
C H5 H N N 71
|
| 859 |
+
C H6 H N N 72
|
| 860 |
+
G OP3 O N N 73
|
| 861 |
+
G P P N N 74
|
| 862 |
+
G OP1 O N N 75
|
| 863 |
+
G OP2 O N N 76
|
| 864 |
+
G "O5'" O N N 77
|
| 865 |
+
G "C5'" C N N 78
|
| 866 |
+
G "C4'" C N R 79
|
| 867 |
+
G "O4'" O N N 80
|
| 868 |
+
G "C3'" C N S 81
|
| 869 |
+
G "O3'" O N N 82
|
| 870 |
+
G "C2'" C N R 83
|
| 871 |
+
G "O2'" O N N 84
|
| 872 |
+
G "C1'" C N R 85
|
| 873 |
+
G N9 N Y N 86
|
| 874 |
+
G C8 C Y N 87
|
| 875 |
+
G N7 N Y N 88
|
| 876 |
+
G C5 C Y N 89
|
| 877 |
+
G C6 C N N 90
|
| 878 |
+
G O6 O N N 91
|
| 879 |
+
G N1 N N N 92
|
| 880 |
+
G C2 C N N 93
|
| 881 |
+
G N2 N N N 94
|
| 882 |
+
G N3 N N N 95
|
| 883 |
+
G C4 C Y N 96
|
| 884 |
+
G HOP3 H N N 97
|
| 885 |
+
G HOP2 H N N 98
|
| 886 |
+
G "H5'" H N N 99
|
| 887 |
+
G "H5''" H N N 100
|
| 888 |
+
G "H4'" H N N 101
|
| 889 |
+
G "H3'" H N N 102
|
| 890 |
+
G "HO3'" H N N 103
|
| 891 |
+
G "H2'" H N N 104
|
| 892 |
+
G "HO2'" H N N 105
|
| 893 |
+
G "H1'" H N N 106
|
| 894 |
+
G H8 H N N 107
|
| 895 |
+
G H1 H N N 108
|
| 896 |
+
G H21 H N N 109
|
| 897 |
+
G H22 H N N 110
|
| 898 |
+
HOH O O N N 111
|
| 899 |
+
HOH H1 H N N 112
|
| 900 |
+
HOH H2 H N N 113
|
| 901 |
+
MN MN MN N N 114
|
| 902 |
+
#
|
| 903 |
+
loop_
|
| 904 |
+
_chem_comp_bond.comp_id
|
| 905 |
+
_chem_comp_bond.atom_id_1
|
| 906 |
+
_chem_comp_bond.atom_id_2
|
| 907 |
+
_chem_comp_bond.value_order
|
| 908 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 909 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 910 |
+
_chem_comp_bond.pdbx_ordinal
|
| 911 |
+
A OP3 P sing N N 1
|
| 912 |
+
A OP3 HOP3 sing N N 2
|
| 913 |
+
A P OP1 doub N N 3
|
| 914 |
+
A P OP2 sing N N 4
|
| 915 |
+
A P "O5'" sing N N 5
|
| 916 |
+
A OP2 HOP2 sing N N 6
|
| 917 |
+
A "O5'" "C5'" sing N N 7
|
| 918 |
+
A "C5'" "C4'" sing N N 8
|
| 919 |
+
A "C5'" "H5'" sing N N 9
|
| 920 |
+
A "C5'" "H5''" sing N N 10
|
| 921 |
+
A "C4'" "O4'" sing N N 11
|
| 922 |
+
A "C4'" "C3'" sing N N 12
|
| 923 |
+
A "C4'" "H4'" sing N N 13
|
| 924 |
+
A "O4'" "C1'" sing N N 14
|
| 925 |
+
A "C3'" "O3'" sing N N 15
|
| 926 |
+
A "C3'" "C2'" sing N N 16
|
| 927 |
+
A "C3'" "H3'" sing N N 17
|
| 928 |
+
A "O3'" "HO3'" sing N N 18
|
| 929 |
+
A "C2'" "O2'" sing N N 19
|
| 930 |
+
A "C2'" "C1'" sing N N 20
|
| 931 |
+
A "C2'" "H2'" sing N N 21
|
| 932 |
+
A "O2'" "HO2'" sing N N 22
|
| 933 |
+
A "C1'" N9 sing N N 23
|
| 934 |
+
A "C1'" "H1'" sing N N 24
|
| 935 |
+
A N9 C8 sing Y N 25
|
| 936 |
+
A N9 C4 sing Y N 26
|
| 937 |
+
A C8 N7 doub Y N 27
|
| 938 |
+
A C8 H8 sing N N 28
|
| 939 |
+
A N7 C5 sing Y N 29
|
| 940 |
+
A C5 C6 sing Y N 30
|
| 941 |
+
A C5 C4 doub Y N 31
|
| 942 |
+
A C6 N6 sing N N 32
|
| 943 |
+
A C6 N1 doub Y N 33
|
| 944 |
+
A N6 H61 sing N N 34
|
| 945 |
+
A N6 H62 sing N N 35
|
| 946 |
+
A N1 C2 sing Y N 36
|
| 947 |
+
A C2 N3 doub Y N 37
|
| 948 |
+
A C2 H2 sing N N 38
|
| 949 |
+
A N3 C4 sing Y N 39
|
| 950 |
+
C OP3 P sing N N 40
|
| 951 |
+
C OP3 HOP3 sing N N 41
|
| 952 |
+
C P OP1 doub N N 42
|
| 953 |
+
C P OP2 sing N N 43
|
| 954 |
+
C P "O5'" sing N N 44
|
| 955 |
+
C OP2 HOP2 sing N N 45
|
| 956 |
+
C "O5'" "C5'" sing N N 46
|
| 957 |
+
C "C5'" "C4'" sing N N 47
|
| 958 |
+
C "C5'" "H5'" sing N N 48
|
| 959 |
+
C "C5'" "H5''" sing N N 49
|
| 960 |
+
C "C4'" "O4'" sing N N 50
|
| 961 |
+
C "C4'" "C3'" sing N N 51
|
| 962 |
+
C "C4'" "H4'" sing N N 52
|
| 963 |
+
C "O4'" "C1'" sing N N 53
|
| 964 |
+
C "C3'" "O3'" sing N N 54
|
| 965 |
+
C "C3'" "C2'" sing N N 55
|
| 966 |
+
C "C3'" "H3'" sing N N 56
|
| 967 |
+
C "O3'" "HO3'" sing N N 57
|
| 968 |
+
C "C2'" "O2'" sing N N 58
|
| 969 |
+
C "C2'" "C1'" sing N N 59
|
| 970 |
+
C "C2'" "H2'" sing N N 60
|
| 971 |
+
C "O2'" "HO2'" sing N N 61
|
| 972 |
+
C "C1'" N1 sing N N 62
|
| 973 |
+
C "C1'" "H1'" sing N N 63
|
| 974 |
+
C N1 C2 sing N N 64
|
| 975 |
+
C N1 C6 sing N N 65
|
| 976 |
+
C C2 O2 doub N N 66
|
| 977 |
+
C C2 N3 sing N N 67
|
| 978 |
+
C N3 C4 doub N N 68
|
| 979 |
+
C C4 N4 sing N N 69
|
| 980 |
+
C C4 C5 sing N N 70
|
| 981 |
+
C N4 H41 sing N N 71
|
| 982 |
+
C N4 H42 sing N N 72
|
| 983 |
+
C C5 C6 doub N N 73
|
| 984 |
+
C C5 H5 sing N N 74
|
| 985 |
+
C C6 H6 sing N N 75
|
| 986 |
+
G OP3 P sing N N 76
|
| 987 |
+
G OP3 HOP3 sing N N 77
|
| 988 |
+
G P OP1 doub N N 78
|
| 989 |
+
G P OP2 sing N N 79
|
| 990 |
+
G P "O5'" sing N N 80
|
| 991 |
+
G OP2 HOP2 sing N N 81
|
| 992 |
+
G "O5'" "C5'" sing N N 82
|
| 993 |
+
G "C5'" "C4'" sing N N 83
|
| 994 |
+
G "C5'" "H5'" sing N N 84
|
| 995 |
+
G "C5'" "H5''" sing N N 85
|
| 996 |
+
G "C4'" "O4'" sing N N 86
|
| 997 |
+
G "C4'" "C3'" sing N N 87
|
| 998 |
+
G "C4'" "H4'" sing N N 88
|
| 999 |
+
G "O4'" "C1'" sing N N 89
|
| 1000 |
+
G "C3'" "O3'" sing N N 90
|
| 1001 |
+
G "C3'" "C2'" sing N N 91
|
| 1002 |
+
G "C3'" "H3'" sing N N 92
|
| 1003 |
+
G "O3'" "HO3'" sing N N 93
|
| 1004 |
+
G "C2'" "O2'" sing N N 94
|
| 1005 |
+
G "C2'" "C1'" sing N N 95
|
| 1006 |
+
G "C2'" "H2'" sing N N 96
|
| 1007 |
+
G "O2'" "HO2'" sing N N 97
|
| 1008 |
+
G "C1'" N9 sing N N 98
|
| 1009 |
+
G "C1'" "H1'" sing N N 99
|
| 1010 |
+
G N9 C8 sing Y N 100
|
| 1011 |
+
G N9 C4 sing Y N 101
|
| 1012 |
+
G C8 N7 doub Y N 102
|
| 1013 |
+
G C8 H8 sing N N 103
|
| 1014 |
+
G N7 C5 sing Y N 104
|
| 1015 |
+
G C5 C6 sing N N 105
|
| 1016 |
+
G C5 C4 doub Y N 106
|
| 1017 |
+
G C6 O6 doub N N 107
|
| 1018 |
+
G C6 N1 sing N N 108
|
| 1019 |
+
G N1 C2 sing N N 109
|
| 1020 |
+
G N1 H1 sing N N 110
|
| 1021 |
+
G C2 N2 sing N N 111
|
| 1022 |
+
G C2 N3 doub N N 112
|
| 1023 |
+
G N2 H21 sing N N 113
|
| 1024 |
+
G N2 H22 sing N N 114
|
| 1025 |
+
G N3 C4 sing N N 115
|
| 1026 |
+
HOH O H1 sing N N 116
|
| 1027 |
+
HOH O H2 sing N N 117
|
| 1028 |
+
#
|
| 1029 |
+
loop_
|
| 1030 |
+
_ndb_struct_conf_na.entry_id
|
| 1031 |
+
_ndb_struct_conf_na.feature
|
| 1032 |
+
283D 'double helix'
|
| 1033 |
+
283D 'a-form double helix'
|
| 1034 |
+
283D 'mismatched base pair'
|
| 1035 |
+
#
|
| 1036 |
+
loop_
|
| 1037 |
+
_ndb_struct_na_base_pair.model_number
|
| 1038 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1039 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1040 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1041 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1042 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1043 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1044 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1045 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1046 |
+
_ndb_struct_na_base_pair.shear
|
| 1047 |
+
_ndb_struct_na_base_pair.stretch
|
| 1048 |
+
_ndb_struct_na_base_pair.stagger
|
| 1049 |
+
_ndb_struct_na_base_pair.buckle
|
| 1050 |
+
_ndb_struct_na_base_pair.propeller
|
| 1051 |
+
_ndb_struct_na_base_pair.opening
|
| 1052 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1053 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1054 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1055 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1056 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1057 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1058 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1059 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1060 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1061 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1062 |
+
1 A G 1 1_555 A C 12 12_555 -0.676 -0.096 0.173 1.678 -12.503 0.603 1 A_G1:C12_A A 1 ? A 12 ? 19 1
|
| 1063 |
+
1 A G 2 1_555 A C 11 12_555 -0.673 -0.165 0.007 6.135 -11.372 0.539 2 A_G2:C11_A A 2 ? A 11 ? 19 1
|
| 1064 |
+
1 A C 3 1_555 A G 10 12_555 0.552 -0.171 -0.137 8.968 -14.655 0.596 3 A_C3:G10_A A 3 ? A 10 ? 19 1
|
| 1065 |
+
1 A C 4 1_555 A G 9 12_555 0.118 -0.184 -0.017 1.296 -13.532 2.551 4 A_C4:G9_A A 4 ? A 9 ? 19 1
|
| 1066 |
+
1 A G 5 1_555 A A 8 12_555 6.751 -4.242 -0.023 -1.029 -18.600 -3.853 5 A_G5:A8_A A 5 ? A 8 ? 11 10
|
| 1067 |
+
1 A A 6 1_555 A A 7 12_555 -4.173 1.451 -0.816 10.927 -15.893 -106.481 6 A_A6:A7_A A 6 ? A 7 ? 5 4
|
| 1068 |
+
1 A A 7 1_555 A A 6 12_555 4.173 1.451 -0.816 -10.927 -15.893 -106.481 7 A_A7:A6_A A 7 ? A 6 ? 5 4
|
| 1069 |
+
1 A A 8 1_555 A G 5 12_555 -6.751 -4.242 -0.023 1.029 -18.600 -3.853 8 A_A8:G5_A A 8 ? A 5 ? 11 10
|
| 1070 |
+
1 A G 9 1_555 A C 4 12_555 -0.118 -0.184 -0.017 -1.296 -13.532 2.551 9 A_G9:C4_A A 9 ? A 4 ? 19 1
|
| 1071 |
+
1 A G 10 1_555 A C 3 12_555 -0.552 -0.171 -0.137 -8.968 -14.655 0.596 10 A_G10:C3_A A 10 ? A 3 ? 19 1
|
| 1072 |
+
1 A C 11 1_555 A G 2 12_555 0.673 -0.165 0.007 -6.135 -11.372 0.539 11 A_C11:G2_A A 11 ? A 2 ? 19 1
|
| 1073 |
+
1 A C 12 1_555 A G 1 12_555 0.676 -0.096 0.173 -1.678 -12.503 0.603 12 A_C12:G1_A A 12 ? A 1 ? 19 1
|
| 1074 |
+
#
|
| 1075 |
+
loop_
|
| 1076 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1077 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1078 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1079 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1080 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1081 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1082 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1083 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1084 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1085 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1086 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1087 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1088 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1089 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1090 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1091 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1092 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1093 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1094 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1095 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1096 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1097 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1098 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1099 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1100 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1101 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1102 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1103 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1104 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1105 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1106 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1107 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1108 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1109 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1110 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1111 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1112 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1113 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1114 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1115 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1116 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1117 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1118 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1119 |
+
1 A G 1 1_555 A C 12 12_555 A G 2 1_555 A C 11 12_555 0.055 -1.402 3.153 -1.191 7.633 33.204 -3.508 -0.268 2.769 13.136
|
| 1120 |
+
2.050 34.066 1 AA_G1G2:C11C12_AA A 1 ? A 12 ? A 2 ? A 11 ?
|
| 1121 |
+
1 A G 2 1_555 A C 11 12_555 A C 3 1_555 A G 10 12_555 0.889 -1.267 3.269 2.195 2.563 37.893 -2.267 -1.087 3.224 3.937
|
| 1122 |
+
-3.372 38.038 2 AA_G2C3:G10C11_AA A 2 ? A 11 ? A 3 ? A 10 ?
|
| 1123 |
+
1 A C 3 1_555 A G 10 12_555 A C 4 1_555 A G 9 12_555 -0.771 -2.363 3.365 -1.755 10.090 24.329 -7.600 1.270 2.269 22.698
|
| 1124 |
+
3.949 26.366 3 AA_C3C4:G9G10_AA A 3 ? A 10 ? A 4 ? A 9 ?
|
| 1125 |
+
1 A C 4 1_555 A G 9 12_555 A G 5 1_555 A A 8 12_555 -1.185 -0.298 3.717 4.117 8.417 59.502 -0.761 1.409 3.568 8.423
|
| 1126 |
+
-4.121 60.168 4 AA_C4G5:A8G9_AA A 4 ? A 9 ? A 5 ? A 8 ?
|
| 1127 |
+
1 A G 5 1_555 A A 8 12_555 A A 6 1_555 A A 7 12_555 -5.741 0.431 3.115 -0.258 11.303 -8.295 -11.108 -23.744 1.394 -53.831
|
| 1128 |
+
-1.227 -14.015 5 AA_G5A6:A7A8_AA A 5 ? A 8 ? A 6 ? A 7 ?
|
| 1129 |
+
1 A A 6 1_555 A A 7 12_555 A A 7 1_555 A A 6 12_555 0.000 -5.165 4.280 0.000 6.383 74.101 -4.523 0.000 3.889 5.287
|
| 1130 |
+
0.000 74.336 6 AA_A6A7:A6A7_AA A 6 ? A 7 ? A 7 ? A 6 ?
|
| 1131 |
+
1 A A 7 1_555 A A 6 12_555 A A 8 1_555 A G 5 12_555 5.741 0.431 3.115 0.258 11.303 -8.295 -11.108 23.744 1.394 -53.831
|
| 1132 |
+
1.227 -14.015 7 AA_A7A8:G5A6_AA A 7 ? A 6 ? A 8 ? A 5 ?
|
| 1133 |
+
1 A A 8 1_555 A G 5 12_555 A G 9 1_555 A C 4 12_555 1.185 -0.298 3.717 -4.117 8.417 59.502 -0.761 -1.409 3.568 8.423
|
| 1134 |
+
4.121 60.168 8 AA_A8G9:C4G5_AA A 8 ? A 5 ? A 9 ? A 4 ?
|
| 1135 |
+
1 A G 9 1_555 A C 4 12_555 A G 10 1_555 A C 3 12_555 0.771 -2.363 3.365 1.755 10.090 24.329 -7.600 -1.270 2.269 22.698
|
| 1136 |
+
-3.949 26.366 9 AA_G9G10:C3C4_AA A 9 ? A 4 ? A 10 ? A 3 ?
|
| 1137 |
+
1 A G 10 1_555 A C 3 12_555 A C 11 1_555 A G 2 12_555 -0.889 -1.267 3.269 -2.195 2.563 37.893 -2.267 1.087 3.224 3.937
|
| 1138 |
+
3.372 38.038 10 AA_G10C11:G2C3_AA A 10 ? A 3 ? A 11 ? A 2 ?
|
| 1139 |
+
1 A C 11 1_555 A G 2 12_555 A C 12 1_555 A G 1 12_555 -0.055 -1.402 3.153 1.191 7.633 33.204 -3.508 0.268 2.769 13.136
|
| 1140 |
+
-2.050 34.066 11 AA_C11C12:G1G2_AA A 11 ? A 2 ? A 12 ? A 1 ?
|
| 1141 |
+
#
|
| 1142 |
+
_pdbx_initial_refinement_model.accession_code 157D
|
| 1143 |
+
_pdbx_initial_refinement_model.id 1
|
| 1144 |
+
_pdbx_initial_refinement_model.entity_id_list ?
|
| 1145 |
+
_pdbx_initial_refinement_model.type 'experimental model'
|
| 1146 |
+
_pdbx_initial_refinement_model.source_name PDB
|
| 1147 |
+
_pdbx_initial_refinement_model.details 'STANDARD A-FORM DUPLEX AND ARL048'
|
| 1148 |
+
#
|
| 1149 |
+
_atom_sites.entry_id 283D
|
| 1150 |
+
_atom_sites.fract_transf_matrix[1][1] 0.026518
|
| 1151 |
+
_atom_sites.fract_transf_matrix[1][2] 0.015310
|
| 1152 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 1153 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1154 |
+
_atom_sites.fract_transf_matrix[2][2] 0.030621
|
| 1155 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1156 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1157 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1158 |
+
_atom_sites.fract_transf_matrix[3][3] 0.011325
|
| 1159 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1160 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1161 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1162 |
+
#
|
| 1163 |
+
loop_
|
| 1164 |
+
_atom_type.symbol
|
| 1165 |
+
C
|
| 1166 |
+
MN
|
| 1167 |
+
N
|
| 1168 |
+
O
|
| 1169 |
+
P
|
| 1170 |
+
#
|
| 1171 |
+
loop_
|
| 1172 |
+
_atom_site.group_PDB
|
| 1173 |
+
_atom_site.id
|
| 1174 |
+
_atom_site.type_symbol
|
| 1175 |
+
_atom_site.label_atom_id
|
| 1176 |
+
_atom_site.label_alt_id
|
| 1177 |
+
_atom_site.label_comp_id
|
| 1178 |
+
_atom_site.label_asym_id
|
| 1179 |
+
_atom_site.label_entity_id
|
| 1180 |
+
_atom_site.label_seq_id
|
| 1181 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1182 |
+
_atom_site.Cartn_x
|
| 1183 |
+
_atom_site.Cartn_y
|
| 1184 |
+
_atom_site.Cartn_z
|
| 1185 |
+
_atom_site.occupancy
|
| 1186 |
+
_atom_site.B_iso_or_equiv
|
| 1187 |
+
_atom_site.pdbx_formal_charge
|
| 1188 |
+
_atom_site.auth_seq_id
|
| 1189 |
+
_atom_site.auth_comp_id
|
| 1190 |
+
_atom_site.auth_asym_id
|
| 1191 |
+
_atom_site.auth_atom_id
|
| 1192 |
+
_atom_site.pdbx_PDB_model_num
|
| 1193 |
+
ATOM 1 O "O5'" . G A 1 1 ? -4.161 17.167 30.481 1.00 27.44 ? 1 G A "O5'" 1
|
| 1194 |
+
ATOM 2 C "C5'" . G A 1 1 ? -3.433 18.087 29.680 1.00 26.88 ? 1 G A "C5'" 1
|
| 1195 |
+
ATOM 3 C "C4'" . G A 1 1 ? -2.337 18.752 30.466 1.00 26.52 ? 1 G A "C4'" 1
|
| 1196 |
+
ATOM 4 O "O4'" . G A 1 1 ? -2.923 19.514 31.548 1.00 27.19 ? 1 G A "O4'" 1
|
| 1197 |
+
ATOM 5 C "C3'" . G A 1 1 ? -1.386 17.808 31.169 1.00 27.45 ? 1 G A "C3'" 1
|
| 1198 |
+
ATOM 6 O "O3'" . G A 1 1 ? -0.370 17.364 30.287 1.00 31.56 ? 1 G A "O3'" 1
|
| 1199 |
+
ATOM 7 C "C2'" . G A 1 1 ? -0.839 18.702 32.268 1.00 27.77 ? 1 G A "C2'" 1
|
| 1200 |
+
ATOM 8 O "O2'" . G A 1 1 ? 0.084 19.650 31.766 1.00 28.74 ? 1 G A "O2'" 1
|
| 1201 |
+
ATOM 9 C "C1'" . G A 1 1 ? -2.111 19.418 32.706 1.00 24.25 ? 1 G A "C1'" 1
|
| 1202 |
+
ATOM 10 N N9 . G A 1 1 ? -2.870 18.678 33.709 1.00 21.14 ? 1 G A N9 1
|
| 1203 |
+
ATOM 11 C C8 . G A 1 1 ? -4.001 17.930 33.495 1.00 19.63 ? 1 G A C8 1
|
| 1204 |
+
ATOM 12 N N7 . G A 1 1 ? -4.476 17.394 34.586 1.00 18.20 ? 1 G A N7 1
|
| 1205 |
+
ATOM 13 C C5 . G A 1 1 ? -3.602 17.808 35.577 1.00 18.54 ? 1 G A C5 1
|
| 1206 |
+
ATOM 14 C C6 . G A 1 1 ? -3.605 17.540 36.955 1.00 19.39 ? 1 G A C6 1
|
| 1207 |
+
ATOM 15 O O6 . G A 1 1 ? -4.422 16.879 37.611 1.00 24.35 ? 1 G A O6 1
|
| 1208 |
+
ATOM 16 N N1 . G A 1 1 ? -2.533 18.137 37.588 1.00 18.55 ? 1 G A N1 1
|
| 1209 |
+
ATOM 17 C C2 . G A 1 1 ? -1.594 18.912 36.973 1.00 20.15 ? 1 G A C2 1
|
| 1210 |
+
ATOM 18 N N2 . G A 1 1 ? -0.649 19.407 37.762 1.00 24.03 ? 1 G A N2 1
|
| 1211 |
+
ATOM 19 N N3 . G A 1 1 ? -1.581 19.184 35.685 1.00 20.75 ? 1 G A N3 1
|
| 1212 |
+
ATOM 20 C C4 . G A 1 1 ? -2.605 18.600 35.051 1.00 19.98 ? 1 G A C4 1
|
| 1213 |
+
ATOM 21 P P . G A 1 2 ? 0.185 15.866 30.412 1.00 35.28 ? 2 G A P 1
|
| 1214 |
+
ATOM 22 O OP1 . G A 1 2 ? 1.092 15.606 29.255 1.00 34.70 ? 2 G A OP1 1
|
| 1215 |
+
ATOM 23 O OP2 . G A 1 2 ? -0.989 14.971 30.643 1.00 31.86 ? 2 G A OP2 1
|
| 1216 |
+
ATOM 24 O "O5'" . G A 1 2 ? 1.065 15.940 31.737 1.00 33.28 ? 2 G A "O5'" 1
|
| 1217 |
+
ATOM 25 C "C5'" . G A 1 2 ? 2.194 16.791 31.794 1.00 31.51 ? 2 G A "C5'" 1
|
| 1218 |
+
ATOM 26 C "C4'" . G A 1 2 ? 2.791 16.776 33.174 1.00 31.96 ? 2 G A "C4'" 1
|
| 1219 |
+
ATOM 27 O "O4'" . G A 1 2 ? 1.859 17.387 34.096 1.00 31.69 ? 2 G A "O4'" 1
|
| 1220 |
+
ATOM 28 C "C3'" . G A 1 2 ? 3.051 15.416 33.798 1.00 32.03 ? 2 G A "C3'" 1
|
| 1221 |
+
ATOM 29 O "O3'" . G A 1 2 ? 4.285 14.865 33.370 1.00 32.62 ? 2 G A "O3'" 1
|
| 1222 |
+
ATOM 30 C "C2'" . G A 1 2 ? 3.146 15.793 35.262 1.00 30.49 ? 2 G A "C2'" 1
|
| 1223 |
+
ATOM 31 O "O2'" . G A 1 2 ? 4.361 16.478 35.461 1.00 30.11 ? 2 G A "O2'" 1
|
| 1224 |
+
ATOM 32 C "C1'" . G A 1 2 ? 1.989 16.784 35.378 1.00 30.38 ? 2 G A "C1'" 1
|
| 1225 |
+
ATOM 33 N N9 . G A 1 2 ? 0.713 16.148 35.706 1.00 29.57 ? 2 G A N9 1
|
| 1226 |
+
ATOM 34 C C8 . G A 1 2 ? -0.275 15.787 34.820 1.00 28.32 ? 2 G A C8 1
|
| 1227 |
+
ATOM 35 N N7 . G A 1 2 ? -1.309 15.241 35.400 1.00 25.06 ? 2 G A N7 1
|
| 1228 |
+
ATOM 36 C C5 . G A 1 2 ? -0.991 15.243 36.750 1.00 25.04 ? 2 G A C5 1
|
| 1229 |
+
ATOM 37 C C6 . G A 1 2 ? -1.731 14.773 37.863 1.00 23.98 ? 2 G A C6 1
|
| 1230 |
+
ATOM 38 O O6 . G A 1 2 ? -2.867 14.270 37.877 1.00 19.57 ? 2 G A O6 1
|
| 1231 |
+
ATOM 39 N N1 . G A 1 2 ? -1.027 14.942 39.051 1.00 23.46 ? 2 G A N1 1
|
| 1232 |
+
ATOM 40 C C2 . G A 1 2 ? 0.221 15.512 39.157 1.00 25.36 ? 2 G A C2 1
|
| 1233 |
+
ATOM 41 N N2 . G A 1 2 ? 0.731 15.614 40.394 1.00 24.80 ? 2 G A N2 1
|
| 1234 |
+
ATOM 42 N N3 . G A 1 2 ? 0.918 15.958 38.125 1.00 27.60 ? 2 G A N3 1
|
| 1235 |
+
ATOM 43 C C4 . G A 1 2 ? 0.256 15.792 36.960 1.00 26.97 ? 2 G A C4 1
|
| 1236 |
+
ATOM 44 P P . C A 1 3 ? 4.432 13.271 33.230 1.00 35.78 ? 3 C A P 1
|
| 1237 |
+
ATOM 45 O OP1 . C A 1 3 ? 5.812 13.021 32.745 1.00 38.31 ? 3 C A OP1 1
|
| 1238 |
+
ATOM 46 O OP2 . C A 1 3 ? 3.263 12.707 32.485 1.00 33.86 ? 3 C A OP2 1
|
| 1239 |
+
ATOM 47 O "O5'" . C A 1 3 ? 4.366 12.722 34.722 1.00 35.21 ? 3 C A "O5'" 1
|
| 1240 |
+
ATOM 48 C "C5'" . C A 1 3 ? 5.433 12.953 35.629 1.00 30.10 ? 3 C A "C5'" 1
|
| 1241 |
+
ATOM 49 C "C4'" . C A 1 3 ? 4.977 12.667 37.031 1.00 27.76 ? 3 C A "C4'" 1
|
| 1242 |
+
ATOM 50 O "O4'" . C A 1 3 ? 3.724 13.366 37.215 1.00 24.62 ? 3 C A "O4'" 1
|
| 1243 |
+
ATOM 51 C "C3'" . C A 1 3 ? 4.599 11.229 37.360 1.00 27.08 ? 3 C A "C3'" 1
|
| 1244 |
+
ATOM 52 O "O3'" . C A 1 3 ? 5.742 10.427 37.662 1.00 30.37 ? 3 C A "O3'" 1
|
| 1245 |
+
ATOM 53 C "C2'" . C A 1 3 ? 3.713 11.437 38.584 1.00 27.50 ? 3 C A "C2'" 1
|
| 1246 |
+
ATOM 54 O "O2'" . C A 1 3 ? 4.421 11.738 39.774 1.00 29.07 ? 3 C A "O2'" 1
|
| 1247 |
+
ATOM 55 C "C1'" . C A 1 3 ? 2.935 12.679 38.166 1.00 23.94 ? 3 C A "C1'" 1
|
| 1248 |
+
ATOM 56 N N1 . C A 1 3 ? 1.652 12.323 37.558 1.00 18.41 ? 3 C A N1 1
|
| 1249 |
+
ATOM 57 C C2 . C A 1 3 ? 0.626 11.963 38.402 1.00 17.40 ? 3 C A C2 1
|
| 1250 |
+
ATOM 58 O O2 . C A 1 3 ? 0.846 11.951 39.628 1.00 17.61 ? 3 C A O2 1
|
| 1251 |
+
ATOM 59 N N3 . C A 1 3 ? -0.577 11.626 37.883 1.00 17.99 ? 3 C A N3 1
|
| 1252 |
+
ATOM 60 C C4 . C A 1 3 ? -0.753 11.629 36.565 1.00 15.80 ? 3 C A C4 1
|
| 1253 |
+
ATOM 61 N N4 . C A 1 3 ? -1.954 11.287 36.095 1.00 14.65 ? 3 C A N4 1
|
| 1254 |
+
ATOM 62 C C5 . C A 1 3 ? 0.293 11.985 35.674 1.00 13.95 ? 3 C A C5 1
|
| 1255 |
+
ATOM 63 C C6 . C A 1 3 ? 1.468 12.332 36.209 1.00 14.66 ? 3 C A C6 1
|
| 1256 |
+
ATOM 64 P P . C A 1 4 ? 5.693 8.822 37.435 1.00 28.80 ? 4 C A P 1
|
| 1257 |
+
ATOM 65 O OP1 . C A 1 4 ? 7.087 8.321 37.540 1.00 29.31 ? 4 C A OP1 1
|
| 1258 |
+
ATOM 66 O OP2 . C A 1 4 ? 4.896 8.524 36.219 1.00 30.28 ? 4 C A OP2 1
|
| 1259 |
+
ATOM 67 O "O5'" . C A 1 4 ? 4.896 8.274 38.696 1.00 27.30 ? 4 C A "O5'" 1
|
| 1260 |
+
ATOM 68 C "C5'" . C A 1 4 ? 5.381 8.508 40.007 1.00 20.12 ? 4 C A "C5'" 1
|
| 1261 |
+
ATOM 69 C "C4'" . C A 1 4 ? 4.387 8.013 41.012 1.00 19.28 ? 4 C A "C4'" 1
|
| 1262 |
+
ATOM 70 O "O4'" . C A 1 4 ? 3.148 8.743 40.857 1.00 17.85 ? 4 C A "O4'" 1
|
| 1263 |
+
ATOM 71 C "C3'" . C A 1 4 ? 3.943 6.582 40.807 1.00 20.32 ? 4 C A "C3'" 1
|
| 1264 |
+
ATOM 72 O "O3'" . C A 1 4 ? 4.894 5.676 41.328 1.00 24.15 ? 4 C A "O3'" 1
|
| 1265 |
+
ATOM 73 C "C2'" . C A 1 4 ? 2.641 6.544 41.586 1.00 17.05 ? 4 C A "C2'" 1
|
| 1266 |
+
ATOM 74 O "O2'" . C A 1 4 ? 2.873 6.431 42.966 1.00 17.62 ? 4 C A "O2'" 1
|
| 1267 |
+
ATOM 75 C "C1'" . C A 1 4 ? 2.067 7.924 41.262 1.00 14.72 ? 4 C A "C1'" 1
|
| 1268 |
+
ATOM 76 N N1 . C A 1 4 ? 1.075 7.896 40.185 1.00 13.75 ? 4 C A N1 1
|
| 1269 |
+
ATOM 77 C C2 . C A 1 4 ? -0.207 7.442 40.481 1.00 14.49 ? 4 C A C2 1
|
| 1270 |
+
ATOM 78 O O2 . C A 1 4 ? -0.458 7.057 41.638 1.00 17.67 ? 4 C A O2 1
|
| 1271 |
+
ATOM 79 N N3 . C A 1 4 ? -1.144 7.431 39.514 1.00 14.11 ? 4 C A N3 1
|
| 1272 |
+
ATOM 80 C C4 . C A 1 4 ? -0.843 7.860 38.297 1.00 11.24 ? 4 C A C4 1
|
| 1273 |
+
ATOM 81 N N4 . C A 1 4 ? -1.813 7.874 37.407 1.00 11.95 ? 4 C A N4 1
|
| 1274 |
+
ATOM 82 C C5 . C A 1 4 ? 0.465 8.306 37.954 1.00 9.98 ? 4 C A C5 1
|
| 1275 |
+
ATOM 83 C C6 . C A 1 4 ? 1.386 8.307 38.918 1.00 14.16 ? 4 C A C6 1
|
| 1276 |
+
ATOM 84 P P . G A 1 5 ? 5.077 4.246 40.633 1.00 24.83 ? 5 G A P 1
|
| 1277 |
+
ATOM 85 O OP1 . G A 1 5 ? 6.091 3.552 41.451 1.00 28.39 ? 5 G A OP1 1
|
| 1278 |
+
ATOM 86 O OP2 . G A 1 5 ? 5.278 4.401 39.166 1.00 26.02 ? 5 G A OP2 1
|
| 1279 |
+
ATOM 87 O "O5'" . G A 1 5 ? 3.665 3.540 40.828 1.00 23.96 ? 5 G A "O5'" 1
|
| 1280 |
+
ATOM 88 C "C5'" . G A 1 5 ? 3.112 3.340 42.121 1.00 25.20 ? 5 G A "C5'" 1
|
| 1281 |
+
ATOM 89 C "C4'" . G A 1 5 ? 1.748 2.716 41.990 1.00 24.55 ? 5 G A "C4'" 1
|
| 1282 |
+
ATOM 90 O "O4'" . G A 1 5 ? 0.826 3.704 41.485 1.00 24.99 ? 5 G A "O4'" 1
|
| 1283 |
+
ATOM 91 C "C3'" . G A 1 5 ? 1.697 1.600 40.966 1.00 24.86 ? 5 G A "C3'" 1
|
| 1284 |
+
ATOM 92 O "O3'" . G A 1 5 ? 2.046 0.366 41.564 1.00 28.52 ? 5 G A "O3'" 1
|
| 1285 |
+
ATOM 93 C "C2'" . G A 1 5 ? 0.246 1.614 40.526 1.00 21.34 ? 5 G A "C2'" 1
|
| 1286 |
+
ATOM 94 O "O2'" . G A 1 5 ? -0.598 0.922 41.409 1.00 21.64 ? 5 G A "O2'" 1
|
| 1287 |
+
ATOM 95 C "C1'" . G A 1 5 ? -0.063 3.107 40.554 1.00 22.10 ? 5 G A "C1'" 1
|
| 1288 |
+
ATOM 96 N N9 . G A 1 5 ? 0.151 3.755 39.266 1.00 20.89 ? 5 G A N9 1
|
| 1289 |
+
ATOM 97 C C8 . G A 1 5 ? 1.354 4.167 38.739 1.00 19.02 ? 5 G A C8 1
|
| 1290 |
+
ATOM 98 N N7 . G A 1 5 ? 1.233 4.700 37.555 1.00 18.30 ? 5 G A N7 1
|
| 1291 |
+
ATOM 99 C C5 . G A 1 5 ? -0.132 4.637 37.289 1.00 14.38 ? 5 G A C5 1
|
| 1292 |
+
ATOM 100 C C6 . G A 1 5 ? -0.873 5.058 36.147 1.00 14.55 ? 5 G A C6 1
|
| 1293 |
+
ATOM 101 O O6 . G A 1 5 ? -0.461 5.594 35.116 1.00 14.73 ? 5 G A O6 1
|
| 1294 |
+
ATOM 102 N N1 . G A 1 5 ? -2.227 4.803 36.297 1.00 12.18 ? 5 G A N1 1
|
| 1295 |
+
ATOM 103 C C2 . G A 1 5 ? -2.804 4.248 37.399 1.00 13.12 ? 5 G A C2 1
|
| 1296 |
+
ATOM 104 N N2 . G A 1 5 ? -4.136 4.125 37.361 1.00 16.34 ? 5 G A N2 1
|
| 1297 |
+
ATOM 105 N N3 . G A 1 5 ? -2.133 3.851 38.464 1.00 15.72 ? 5 G A N3 1
|
| 1298 |
+
ATOM 106 C C4 . G A 1 5 ? -0.809 4.071 38.339 1.00 15.43 ? 5 G A C4 1
|
| 1299 |
+
ATOM 107 P P . A A 1 6 ? 3.165 -0.552 40.880 1.00 27.34 ? 6 A A P 1
|
| 1300 |
+
ATOM 108 O OP1 . A A 1 6 ? 4.424 -0.308 41.648 1.00 26.87 ? 6 A A OP1 1
|
| 1301 |
+
ATOM 109 O OP2 . A A 1 6 ? 3.132 -0.271 39.442 1.00 28.92 ? 6 A A OP2 1
|
| 1302 |
+
ATOM 110 O "O5'" . A A 1 6 ? 2.619 -2.041 41.087 1.00 25.01 ? 6 A A "O5'" 1
|
| 1303 |
+
ATOM 111 C "C5'" . A A 1 6 ? 3.078 -2.832 42.166 1.00 18.86 ? 6 A A "C5'" 1
|
| 1304 |
+
ATOM 112 C "C4'" . A A 1 6 ? 1.969 -3.697 42.714 1.00 19.54 ? 6 A A "C4'" 1
|
| 1305 |
+
ATOM 113 O "O4'" . A A 1 6 ? 0.774 -2.909 42.946 1.00 18.52 ? 6 A A "O4'" 1
|
| 1306 |
+
ATOM 114 C "C3'" . A A 1 6 ? 1.428 -4.826 41.858 1.00 18.52 ? 6 A A "C3'" 1
|
| 1307 |
+
ATOM 115 O "O3'" . A A 1 6 ? 2.310 -5.945 41.880 1.00 22.89 ? 6 A A "O3'" 1
|
| 1308 |
+
ATOM 116 C "C2'" . A A 1 6 ? 0.151 -5.171 42.619 1.00 17.00 ? 6 A A "C2'" 1
|
| 1309 |
+
ATOM 117 O "O2'" . A A 1 6 ? 0.363 -5.966 43.766 1.00 16.08 ? 6 A A "O2'" 1
|
| 1310 |
+
ATOM 118 C "C1'" . A A 1 6 ? -0.317 -3.795 43.090 1.00 17.16 ? 6 A A "C1'" 1
|
| 1311 |
+
ATOM 119 N N9 . A A 1 6 ? -1.434 -3.351 42.279 1.00 17.13 ? 6 A A N9 1
|
| 1312 |
+
ATOM 120 C C8 . A A 1 6 ? -1.465 -2.516 41.201 1.00 17.21 ? 6 A A C8 1
|
| 1313 |
+
ATOM 121 N N7 . A A 1 6 ? -2.651 -2.406 40.657 1.00 20.31 ? 6 A A N7 1
|
| 1314 |
+
ATOM 122 C C5 . A A 1 6 ? -3.458 -3.208 41.447 1.00 18.62 ? 6 A A C5 1
|
| 1315 |
+
ATOM 123 C C6 . A A 1 6 ? -4.828 -3.522 41.396 1.00 22.34 ? 6 A A C6 1
|
| 1316 |
+
ATOM 124 N N6 . A A 1 6 ? -5.667 -3.046 40.467 1.00 21.85 ? 6 A A N6 1
|
| 1317 |
+
ATOM 125 N N1 . A A 1 6 ? -5.318 -4.358 42.347 1.00 24.61 ? 6 A A N1 1
|
| 1318 |
+
ATOM 126 C C2 . A A 1 6 ? -4.478 -4.830 43.278 1.00 21.81 ? 6 A A C2 1
|
| 1319 |
+
ATOM 127 N N3 . A A 1 6 ? -3.172 -4.605 43.425 1.00 20.74 ? 6 A A N3 1
|
| 1320 |
+
ATOM 128 C C4 . A A 1 6 ? -2.722 -3.780 42.463 1.00 19.54 ? 6 A A C4 1
|
| 1321 |
+
ATOM 129 P P . A A 1 7 ? 2.386 -6.938 40.617 1.00 21.40 ? 7 A A P 1
|
| 1322 |
+
ATOM 130 O OP1 . A A 1 7 ? 3.050 -8.180 41.075 1.00 21.95 ? 7 A A OP1 1
|
| 1323 |
+
ATOM 131 O OP2 . A A 1 7 ? 2.983 -6.171 39.515 1.00 25.68 ? 7 A A OP2 1
|
| 1324 |
+
ATOM 132 O "O5'" . A A 1 7 ? 0.861 -7.254 40.292 1.00 19.37 ? 7 A A "O5'" 1
|
| 1325 |
+
ATOM 133 C "C5'" . A A 1 7 ? 0.137 -8.157 41.115 1.00 21.07 ? 7 A A "C5'" 1
|
| 1326 |
+
ATOM 134 C "C4'" . A A 1 7 ? -1.309 -8.205 40.705 1.00 19.54 ? 7 A A "C4'" 1
|
| 1327 |
+
ATOM 135 O "O4'" . A A 1 7 ? -1.848 -6.866 40.767 1.00 19.81 ? 7 A A "O4'" 1
|
| 1328 |
+
ATOM 136 C "C3'" . A A 1 7 ? -1.589 -8.635 39.281 1.00 19.82 ? 7 A A "C3'" 1
|
| 1329 |
+
ATOM 137 O "O3'" . A A 1 7 ? -1.626 -10.044 39.201 1.00 21.55 ? 7 A A "O3'" 1
|
| 1330 |
+
ATOM 138 C "C2'" . A A 1 7 ? -2.969 -8.044 39.049 1.00 18.91 ? 7 A A "C2'" 1
|
| 1331 |
+
ATOM 139 O "O2'" . A A 1 7 ? -3.988 -8.816 39.634 1.00 18.94 ? 7 A A "O2'" 1
|
| 1332 |
+
ATOM 140 C "C1'" . A A 1 7 ? -2.835 -6.704 39.769 1.00 17.83 ? 7 A A "C1'" 1
|
| 1333 |
+
ATOM 141 N N9 . A A 1 7 ? -2.357 -5.681 38.860 1.00 13.96 ? 7 A A N9 1
|
| 1334 |
+
ATOM 142 C C8 . A A 1 7 ? -1.120 -5.114 38.797 1.00 13.90 ? 7 A A C8 1
|
| 1335 |
+
ATOM 143 N N7 . A A 1 7 ? -0.987 -4.256 37.823 1.00 14.62 ? 7 A A N7 1
|
| 1336 |
+
ATOM 144 C C5 . A A 1 7 ? -2.233 -4.249 37.215 1.00 15.00 ? 7 A A C5 1
|
| 1337 |
+
ATOM 145 C C6 . A A 1 7 ? -2.752 -3.551 36.110 1.00 16.24 ? 7 A A C6 1
|
| 1338 |
+
ATOM 146 N N6 . A A 1 7 ? -2.048 -2.689 35.367 1.00 11.15 ? 7 A A N6 1
|
| 1339 |
+
ATOM 147 N N1 . A A 1 7 ? -4.041 -3.781 35.777 1.00 17.70 ? 7 A A N1 1
|
| 1340 |
+
ATOM 148 C C2 . A A 1 7 ? -4.741 -4.658 36.494 1.00 17.12 ? 7 A A C2 1
|
| 1341 |
+
ATOM 149 N N3 . A A 1 7 ? -4.362 -5.377 37.543 1.00 18.14 ? 7 A A N3 1
|
| 1342 |
+
ATOM 150 C C4 . A A 1 7 ? -3.084 -5.118 37.854 1.00 14.68 ? 7 A A C4 1
|
| 1343 |
+
ATOM 151 P P . A A 1 8 ? -1.089 -10.784 37.885 1.00 23.35 ? 8 A A P 1
|
| 1344 |
+
ATOM 152 O OP1 . A A 1 8 ? -1.337 -12.229 38.125 1.00 22.83 ? 8 A A OP1 1
|
| 1345 |
+
ATOM 153 O OP2 . A A 1 8 ? 0.290 -10.311 37.483 1.00 20.78 ? 8 A A OP2 1
|
| 1346 |
+
ATOM 154 O "O5'" . A A 1 8 ? -2.131 -10.330 36.785 1.00 26.36 ? 8 A A "O5'" 1
|
| 1347 |
+
ATOM 155 C "C5'" . A A 1 8 ? -3.498 -10.700 36.881 1.00 28.41 ? 8 A A "C5'" 1
|
| 1348 |
+
ATOM 156 C "C4'" . A A 1 8 ? -4.247 -10.132 35.706 1.00 27.78 ? 8 A A "C4'" 1
|
| 1349 |
+
ATOM 157 O "O4'" . A A 1 8 ? -4.168 -8.683 35.767 1.00 27.11 ? 8 A A "O4'" 1
|
| 1350 |
+
ATOM 158 C "C3'" . A A 1 8 ? -3.611 -10.466 34.366 1.00 29.28 ? 8 A A "C3'" 1
|
| 1351 |
+
ATOM 159 O "O3'" . A A 1 8 ? -4.001 -11.752 33.898 1.00 27.11 ? 8 A A "O3'" 1
|
| 1352 |
+
ATOM 160 C "C2'" . A A 1 8 ? -4.111 -9.329 33.481 1.00 29.93 ? 8 A A "C2'" 1
|
| 1353 |
+
ATOM 161 O "O2'" . A A 1 8 ? -5.442 -9.485 33.042 1.00 32.80 ? 8 A A "O2'" 1
|
| 1354 |
+
ATOM 162 C "C1'" . A A 1 8 ? -4.084 -8.155 34.454 1.00 27.65 ? 8 A A "C1'" 1
|
| 1355 |
+
ATOM 163 N N9 . A A 1 8 ? -2.892 -7.310 34.341 1.00 24.36 ? 8 A A N9 1
|
| 1356 |
+
ATOM 164 C C8 . A A 1 8 ? -1.780 -7.264 35.140 1.00 21.66 ? 8 A A C8 1
|
| 1357 |
+
ATOM 165 N N7 . A A 1 8 ? -0.922 -6.332 34.793 1.00 21.00 ? 8 A A N7 1
|
| 1358 |
+
ATOM 166 C C5 . A A 1 8 ? -1.500 -5.739 33.680 1.00 19.18 ? 8 A A C5 1
|
| 1359 |
+
ATOM 167 C C6 . A A 1 8 ? -1.101 -4.676 32.856 1.00 19.17 ? 8 A A C6 1
|
| 1360 |
+
ATOM 168 N N6 . A A 1 8 ? 0.020 -3.986 33.023 1.00 19.34 ? 8 A A N6 1
|
| 1361 |
+
ATOM 169 N N1 . A A 1 8 ? -1.911 -4.336 31.837 1.00 19.24 ? 8 A A N1 1
|
| 1362 |
+
ATOM 170 C C2 . A A 1 8 ? -3.041 -5.019 31.663 1.00 18.44 ? 8 A A C2 1
|
| 1363 |
+
ATOM 171 N N3 . A A 1 8 ? -3.528 -6.029 32.367 1.00 19.02 ? 8 A A N3 1
|
| 1364 |
+
ATOM 172 C C4 . A A 1 8 ? -2.702 -6.344 33.378 1.00 20.71 ? 8 A A C4 1
|
| 1365 |
+
ATOM 173 P P . G A 1 9 ? -2.879 -12.787 33.414 1.00 26.87 ? 9 G A P 1
|
| 1366 |
+
ATOM 174 O OP1 . G A 1 9 ? -3.545 -13.898 32.689 1.00 33.39 ? 9 G A OP1 1
|
| 1367 |
+
ATOM 175 O OP2 . G A 1 9 ? -1.968 -13.089 34.533 1.00 30.04 ? 9 G A OP2 1
|
| 1368 |
+
ATOM 176 O "O5'" . G A 1 9 ? -2.036 -11.973 32.344 1.00 29.08 ? 9 G A "O5'" 1
|
| 1369 |
+
ATOM 177 C "C5'" . G A 1 9 ? -2.663 -11.374 31.229 1.00 23.83 ? 9 G A "C5'" 1
|
| 1370 |
+
ATOM 178 C "C4'" . G A 1 9 ? -1.757 -10.336 30.630 1.00 24.44 ? 9 G A "C4'" 1
|
| 1371 |
+
ATOM 179 O "O4'" . G A 1 9 ? -1.491 -9.294 31.602 1.00 24.76 ? 9 G A "O4'" 1
|
| 1372 |
+
ATOM 180 C "C3'" . G A 1 9 ? -0.350 -10.777 30.282 1.00 25.88 ? 9 G A "C3'" 1
|
| 1373 |
+
ATOM 181 O "O3'" . G A 1 9 ? -0.328 -11.568 29.099 1.00 32.03 ? 9 G A "O3'" 1
|
| 1374 |
+
ATOM 182 C "C2'" . G A 1 9 ? 0.319 -9.429 30.094 1.00 24.68 ? 9 G A "C2'" 1
|
| 1375 |
+
ATOM 183 O "O2'" . G A 1 9 ? -0.141 -8.831 28.894 1.00 23.73 ? 9 G A "O2'" 1
|
| 1376 |
+
ATOM 184 C "C1'" . G A 1 9 ? -0.265 -8.656 31.277 1.00 23.32 ? 9 G A "C1'" 1
|
| 1377 |
+
ATOM 185 N N9 . G A 1 9 ? 0.597 -8.625 32.459 1.00 20.92 ? 9 G A N9 1
|
| 1378 |
+
ATOM 186 C C8 . G A 1 9 ? 0.569 -9.448 33.560 1.00 18.81 ? 9 G A C8 1
|
| 1379 |
+
ATOM 187 N N7 . G A 1 9 ? 1.507 -9.178 34.443 1.00 22.74 ? 9 G A N7 1
|
| 1380 |
+
ATOM 188 C C5 . G A 1 9 ? 2.184 -8.094 33.882 1.00 22.32 ? 9 G A C5 1
|
| 1381 |
+
ATOM 189 C C6 . G A 1 9 ? 3.313 -7.347 34.350 1.00 23.99 ? 9 G A C6 1
|
| 1382 |
+
ATOM 190 O O6 . G A 1 9 ? 3.958 -7.492 35.397 1.00 25.79 ? 9 G A O6 1
|
| 1383 |
+
ATOM 191 N N1 . G A 1 9 ? 3.670 -6.338 33.452 1.00 21.89 ? 9 G A N1 1
|
| 1384 |
+
ATOM 192 C C2 . G A 1 9 ? 3.020 -6.072 32.266 1.00 22.01 ? 9 G A C2 1
|
| 1385 |
+
ATOM 193 N N2 . G A 1 9 ? 3.486 -5.055 31.540 1.00 22.66 ? 9 G A N2 1
|
| 1386 |
+
ATOM 194 N N3 . G A 1 9 ? 1.984 -6.751 31.823 1.00 20.39 ? 9 G A N3 1
|
| 1387 |
+
ATOM 195 C C4 . G A 1 9 ? 1.625 -7.741 32.665 1.00 22.06 ? 9 G A C4 1
|
| 1388 |
+
ATOM 196 P P . G A 1 10 ? 0.954 -12.484 28.774 1.00 31.90 ? 10 G A P 1
|
| 1389 |
+
ATOM 197 O OP1 . G A 1 10 ? 0.614 -13.338 27.607 1.00 34.82 ? 10 G A OP1 1
|
| 1390 |
+
ATOM 198 O OP2 . G A 1 10 ? 1.470 -13.113 30.018 1.00 33.60 ? 10 G A OP2 1
|
| 1391 |
+
ATOM 199 O "O5'" . G A 1 10 ? 1.996 -11.396 28.285 1.00 33.66 ? 10 G A "O5'" 1
|
| 1392 |
+
ATOM 200 C "C5'" . G A 1 10 ? 3.371 -11.487 28.599 1.00 30.41 ? 10 G A "C5'" 1
|
| 1393 |
+
ATOM 201 C "C4'" . G A 1 10 ? 3.993 -10.129 28.457 1.00 27.72 ? 10 G A "C4'" 1
|
| 1394 |
+
ATOM 202 O "O4'" . G A 1 10 ? 3.624 -9.308 29.589 1.00 26.93 ? 10 G A "O4'" 1
|
| 1395 |
+
ATOM 203 C "C3'" . G A 1 10 ? 5.500 -10.114 28.443 1.00 27.42 ? 10 G A "C3'" 1
|
| 1396 |
+
ATOM 204 O "O3'" . G A 1 10 ? 5.900 -10.346 27.097 1.00 31.00 ? 10 G A "O3'" 1
|
| 1397 |
+
ATOM 205 C "C2'" . G A 1 10 ? 5.794 -8.684 28.866 1.00 27.07 ? 10 G A "C2'" 1
|
| 1398 |
+
ATOM 206 O "O2'" . G A 1 10 ? 5.619 -7.785 27.799 1.00 26.72 ? 10 G A "O2'" 1
|
| 1399 |
+
ATOM 207 C "C1'" . G A 1 10 ? 4.693 -8.440 29.902 1.00 26.96 ? 10 G A "C1'" 1
|
| 1400 |
+
ATOM 208 N N9 . G A 1 10 ? 5.114 -8.712 31.273 1.00 25.33 ? 10 G A N9 1
|
| 1401 |
+
ATOM 209 C C8 . G A 1 10 ? 4.573 -9.629 32.134 1.00 22.09 ? 10 G A C8 1
|
| 1402 |
+
ATOM 210 N N7 . G A 1 10 ? 5.164 -9.647 33.296 1.00 24.57 ? 10 G A N7 1
|
| 1403 |
+
ATOM 211 C C5 . G A 1 10 ? 6.153 -8.681 33.195 1.00 24.10 ? 10 G A C5 1
|
| 1404 |
+
ATOM 212 C C6 . G A 1 10 ? 7.113 -8.254 34.138 1.00 24.97 ? 10 G A C6 1
|
| 1405 |
+
ATOM 213 O O6 . G A 1 10 ? 7.273 -8.640 35.289 1.00 26.11 ? 10 G A O6 1
|
| 1406 |
+
ATOM 214 N N1 . G A 1 10 ? 7.941 -7.261 33.621 1.00 24.50 ? 10 G A N1 1
|
| 1407 |
+
ATOM 215 C C2 . G A 1 10 ? 7.842 -6.736 32.362 1.00 22.92 ? 10 G A C2 1
|
| 1408 |
+
ATOM 216 N N2 . G A 1 10 ? 8.728 -5.782 32.050 1.00 22.94 ? 10 G A N2 1
|
| 1409 |
+
ATOM 217 N N3 . G A 1 10 ? 6.940 -7.119 31.473 1.00 22.83 ? 10 G A N3 1
|
| 1410 |
+
ATOM 218 C C4 . G A 1 10 ? 6.137 -8.094 31.954 1.00 23.48 ? 10 G A C4 1
|
| 1411 |
+
ATOM 219 P P . C A 1 11 ? 7.159 -11.289 26.785 1.00 31.24 ? 11 C A P 1
|
| 1412 |
+
ATOM 220 O OP1 . C A 1 11 ? 7.140 -11.612 25.333 1.00 32.49 ? 11 C A OP1 1
|
| 1413 |
+
ATOM 221 O OP2 . C A 1 11 ? 7.150 -12.385 27.785 1.00 33.55 ? 11 C A OP2 1
|
| 1414 |
+
ATOM 222 O "O5'" . C A 1 11 ? 8.415 -10.354 27.070 1.00 29.27 ? 11 C A "O5'" 1
|
| 1415 |
+
ATOM 223 C "C5'" . C A 1 11 ? 8.758 -9.317 26.174 1.00 24.62 ? 11 C A "C5'" 1
|
| 1416 |
+
ATOM 224 C "C4'" . C A 1 11 ? 9.816 -8.448 26.788 1.00 24.53 ? 11 C A "C4'" 1
|
| 1417 |
+
ATOM 225 O "O4'" . C A 1 11 ? 9.300 -7.924 28.026 1.00 20.79 ? 11 C A "O4'" 1
|
| 1418 |
+
ATOM 226 C "C3'" . C A 1 11 ? 11.109 -9.141 27.197 1.00 26.65 ? 11 C A "C3'" 1
|
| 1419 |
+
ATOM 227 O "O3'" . C A 1 11 ? 12.020 -9.194 26.107 1.00 32.83 ? 11 C A "O3'" 1
|
| 1420 |
+
ATOM 228 C "C2'" . C A 1 11 ? 11.647 -8.175 28.227 1.00 24.08 ? 11 C A "C2'" 1
|
| 1421 |
+
ATOM 229 O "O2'" . C A 1 11 ? 12.197 -7.041 27.600 1.00 27.54 ? 11 C A "O2'" 1
|
| 1422 |
+
ATOM 230 C "C1'" . C A 1 11 ? 10.362 -7.780 28.947 1.00 22.63 ? 11 C A "C1'" 1
|
| 1423 |
+
ATOM 231 N N1 . C A 1 11 ? 10.081 -8.624 30.111 1.00 19.69 ? 11 C A N1 1
|
| 1424 |
+
ATOM 232 C C2 . C A 1 11 ? 10.818 -8.430 31.273 1.00 19.50 ? 11 C A C2 1
|
| 1425 |
+
ATOM 233 O O2 . C A 1 11 ? 11.746 -7.618 31.263 1.00 20.45 ? 11 C A O2 1
|
| 1426 |
+
ATOM 234 N N3 . C A 1 11 ? 10.513 -9.139 32.375 1.00 22.29 ? 11 C A N3 1
|
| 1427 |
+
ATOM 235 C C4 . C A 1 11 ? 9.531 -10.035 32.334 1.00 21.06 ? 11 C A C4 1
|
| 1428 |
+
ATOM 236 N N4 . C A 1 11 ? 9.240 -10.695 33.457 1.00 23.01 ? 11 C A N4 1
|
| 1429 |
+
ATOM 237 C C5 . C A 1 11 ? 8.798 -10.293 31.142 1.00 21.07 ? 11 C A C5 1
|
| 1430 |
+
ATOM 238 C C6 . C A 1 11 ? 9.102 -9.571 30.065 1.00 19.45 ? 11 C A C6 1
|
| 1431 |
+
ATOM 239 P P . C A 1 12 ? 13.012 -10.448 25.940 1.00 34.10 ? 12 C A P 1
|
| 1432 |
+
ATOM 240 O OP1 . C A 1 12 ? 13.499 -10.318 24.547 1.00 37.79 ? 12 C A OP1 1
|
| 1433 |
+
ATOM 241 O OP2 . C A 1 12 ? 12.312 -11.693 26.361 1.00 34.30 ? 12 C A OP2 1
|
| 1434 |
+
ATOM 242 O "O5'" . C A 1 12 ? 14.209 -10.144 26.949 1.00 30.68 ? 12 C A "O5'" 1
|
| 1435 |
+
ATOM 243 C "C5'" . C A 1 12 ? 14.890 -8.899 26.906 1.00 28.74 ? 12 C A "C5'" 1
|
| 1436 |
+
ATOM 244 C "C4'" . C A 1 12 ? 15.731 -8.730 28.139 1.00 31.14 ? 12 C A "C4'" 1
|
| 1437 |
+
ATOM 245 O "O4'" . C A 1 12 ? 14.877 -8.588 29.295 1.00 31.22 ? 12 C A "O4'" 1
|
| 1438 |
+
ATOM 246 C "C3'" . C A 1 12 ? 16.610 -9.915 28.486 1.00 32.64 ? 12 C A "C3'" 1
|
| 1439 |
+
ATOM 247 O "O3'" . C A 1 12 ? 17.816 -9.849 27.737 1.00 36.95 ? 12 C A "O3'" 1
|
| 1440 |
+
ATOM 248 C "C2'" . C A 1 12 ? 16.867 -9.702 29.971 1.00 31.74 ? 12 C A "C2'" 1
|
| 1441 |
+
ATOM 249 O "O2'" . C A 1 12 ? 17.914 -8.771 30.195 1.00 30.97 ? 12 C A "O2'" 1
|
| 1442 |
+
ATOM 250 C "C1'" . C A 1 12 ? 15.527 -9.123 30.431 1.00 27.88 ? 12 C A "C1'" 1
|
| 1443 |
+
ATOM 251 N N1 . C A 1 12 ? 14.616 -10.090 31.041 1.00 25.31 ? 12 C A N1 1
|
| 1444 |
+
ATOM 252 C C2 . C A 1 12 ? 14.709 -10.334 32.417 1.00 25.70 ? 12 C A C2 1
|
| 1445 |
+
ATOM 253 O O2 . C A 1 12 ? 15.627 -9.812 33.055 1.00 26.57 ? 12 C A O2 1
|
| 1446 |
+
ATOM 254 N N3 . C A 1 12 ? 13.805 -11.144 33.010 1.00 23.98 ? 12 C A N3 1
|
| 1447 |
+
ATOM 255 C C4 . C A 1 12 ? 12.851 -11.722 32.276 1.00 23.46 ? 12 C A C4 1
|
| 1448 |
+
ATOM 256 N N4 . C A 1 12 ? 11.941 -12.479 32.912 1.00 20.35 ? 12 C A N4 1
|
| 1449 |
+
ATOM 257 C C5 . C A 1 12 ? 12.775 -11.541 30.860 1.00 22.41 ? 12 C A C5 1
|
| 1450 |
+
ATOM 258 C C6 . C A 1 12 ? 13.668 -10.723 30.291 1.00 21.27 ? 12 C A C6 1
|
| 1451 |
+
HETATM 259 MN MN . MN B 2 . ? 1.865 -10.733 36.086 1.00 30.78 ? 13 MN A MN 1
|
| 1452 |
+
HETATM 260 O O . HOH C 3 . ? -1.924 0.231 36.097 1.00 41.11 ? 14 HOH A O 1
|
| 1453 |
+
HETATM 261 O O . HOH C 3 . ? 2.317 4.946 34.825 1.00 19.24 ? 15 HOH A O 1
|
| 1454 |
+
HETATM 262 O O . HOH C 3 . ? -1.601 -8.150 44.082 1.00 27.75 ? 16 HOH A O 1
|
| 1455 |
+
HETATM 263 O O . HOH C 3 . ? -2.557 0.735 43.083 1.00 64.27 ? 17 HOH A O 1
|
| 1456 |
+
HETATM 264 O O . HOH C 3 . ? -6.675 15.895 34.754 1.00 37.95 ? 18 HOH A O 1
|
| 1457 |
+
HETATM 265 O O . HOH C 3 . ? 7.445 -1.974 38.665 1.00 45.31 ? 19 HOH A O 1
|
| 1458 |
+
HETATM 266 O O . HOH C 3 . ? 9.238 -4.311 29.349 1.00 29.71 ? 20 HOH A O 1
|
| 1459 |
+
HETATM 267 O O . HOH C 3 . ? 6.620 0.399 36.783 1.00 28.62 ? 21 HOH A O 1
|
| 1460 |
+
HETATM 268 O O . HOH C 3 . ? 1.444 -1.030 38.018 1.00 37.31 ? 22 HOH A O 1
|
| 1461 |
+
HETATM 269 O O . HOH C 3 . ? -6.054 -7.044 38.834 1.00 29.44 ? 23 HOH A O 1
|
| 1462 |
+
HETATM 270 O O . HOH C 3 . ? -0.165 -11.080 35.269 1.00 67.96 ? 24 HOH A O 1
|
| 1463 |
+
HETATM 271 O O . HOH C 3 . ? -1.147 1.114 38.461 1.00 83.58 ? 25 HOH A O 1
|
| 1464 |
+
HETATM 272 O O . HOH C 3 . ? -3.423 14.238 34.504 1.00 53.95 ? 26 HOH A O 1
|
| 1465 |
+
HETATM 273 O O . HOH C 3 . ? 1.104 -12.873 34.112 1.00 56.02 ? 27 HOH A O 1
|
| 1466 |
+
HETATM 274 O O . HOH C 3 . ? 5.059 -9.370 38.761 1.00 54.39 ? 28 HOH A O 1
|
| 1467 |
+
HETATM 275 O O . HOH C 3 . ? 2.562 -8.970 36.953 1.00 28.58 ? 29 HOH A O 1
|
| 1468 |
+
HETATM 276 O O . HOH C 3 . ? 6.852 0.741 40.432 1.00 52.15 ? 30 HOH A O 1
|
| 1469 |
+
HETATM 277 O O . HOH C 3 . ? 0.770 -13.973 38.828 1.00 51.30 ? 31 HOH A O 1
|
| 1470 |
+
#
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